Phenylpropanoids and polyketides
Ascomycin, 95%
CAS: 104987-12-4 Molecular Formula: C43H69NO12 Molecular Weight (g/mol): 792.02 MDL Number: MFCD06198665 InChI Key: ZDQSOHOQTUFQEM-NURRSENYSA-N Synonym: ascomycin,immunomycin,unii-auf4u5nsjk,ascomycin fk520,auf4u5nsjk,chembl8597,15,19-epoxy-3h-pyrido 2,1-c 1,4 oxaazacyclotricosine-1,7,20,21 4h,23h-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-2-4-hydroxy-3-methoxycyclohexyl-1-methylethenyl-14,16-dimethoxy-4,10,12,18-tetram,ascomycin from streptomyces hygroscopicus var. ascomyceticus,15,19-epoxy-3h-pyrido 2,1-c 1,4 oxaazacyclotricosine-1,7,20,21 4h,23h-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-2-4-hydroxy-3-methoxycyclohexyl-1-methylethenyl-14,16-dimethoxy-4,10,12,18-tetramethyl-, 3s-3r* e 1s*,3s*,4s* ,4s*,19s*,26ar*,ascomycin fk 520, fr 900520, imm PubChem CID: 5282071 ChEBI: CHEBI:29582 SMILES: CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C
Benzoin, 99%
CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethanone SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Benzoin methyl ether, 97%
CAS: 3524-62-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00008492 InChI Key: BQZJOQXSCSZQPS-UHFFFAOYSA-N Synonym: benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin PubChem CID: 98097 IUPAC Name: 2-methoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%
CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.4 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
4-Amino-4'-nitrostilbene-2,2'-disulfonic acid, tech. 80%, Thermo Scientific Chemicals
CAS: 119-72-2 Molecular Formula: C14H12N2O8S2 Molecular Weight (g/mol): 400.376 MDL Number: MFCD00035915 InChI Key: GHBWBMDGBCKAQU-OWOJBTEDSA-N Synonym: 4-nitro-4'-aminostilbene-2,2'-disulfonic acid,4-amino-4'-nitro-2,2'-stilbenedisulfonic acid,4-amino-4'-nitrostilbene-2,2'-disulfonic acid,kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech,kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech,benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl,2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro,5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid,5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid,5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid PubChem CID: 5473847 IUPAC Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
Chlortetracycline hydrochloride
CAS: 64-72-2 Molecular Formula: C22H24Cl2N2O8 Molecular Weight (g/mol): 515.34 MDL Number: MFCD00082440 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride PubChem CID: 66577600 IUPAC Name: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl
Ochratoxin A, 99+%
CAS: 303-47-9 Molecular Formula: C20H18ClNO6 Molecular Weight (g/mol): 403.82 MDL Number: MFCD00078079 InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N Synonym: ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 PubChem CID: 442530 ChEBI: CHEBI:7719 IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl
3,3'-Carbonylbis(7-diethylaminocoumarin), 99%
CAS: 63226-13-1 Molecular Formula: C27H28N2O5 Molecular Weight (g/mol): 460.52 MDL Number: MFCD00050047 InChI Key: SANIRTQDABNCHF-UHFFFAOYSA-N Synonym: 3,3'-carbonylbis 7-diethylaminocoumarin,3,3'-carbonylbis 7-diethylamino-2h-chromen-2-one,2h-1-benzopyran-2-one, 3,3'-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxochromene-3-carbonyl chromen-2-one,7-diethylamino-3-7-diethylamino-2-oxochromen-3-yl carbonyl chromen-2-one,3,3'-carbonyl-bis-7-diethylaminocoumarin,2h-1-benzopyran-2-one, 3,3-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxo-2h-chromen-3-yl carbonyl-2h-ch romen-2-one PubChem CID: 113160 IUPAC Name: 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O
3-Acetylcoumarin, 98+%
CAS: 3949-36-8 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00006853 InChI Key: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC Name: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O
7-Amino-4-(trifluoromethyl)coumarin, 97%
CAS: 53518-15-3 Molecular Formula: C10H6F3NO2 Molecular Weight (g/mol): 229.158 MDL Number: MFCD00006858 InChI Key: JBNOVHJXQSHGRL-UHFFFAOYSA-N Synonym: coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017 PubChem CID: 100641 ChEBI: CHEBI:51772 IUPAC Name: 7-amino-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F
Ethyl coumarin-3-carboxylate, 98%
CAS: 1846-76-0 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00016964 InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonym: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester PubChem CID: 15800 IUPAC Name: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O
6-Aminocoumarin hydrochloride, 97%
CAS: 63989-79-7 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.62 MDL Number: MFCD00082671 InChI Key: OSIGAIXSSYAHEG-UHFFFAOYSA-N Synonym: 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1 PubChem CID: 356789 IUPAC Name: 6-aminochromen-2-one;hydrochloride SMILES: [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1
4-Methylumbelliferyl sulfate potassium salt, 98%
CAS: 15220-11-8 Molecular Formula: C10H7KO6S Molecular Weight (g/mol): 294.318 MDL Number: MFCD00016970 InChI Key: CSOCSPXOODWGLJ-UHFFFAOYSA-M Synonym: 4-methylumbelliferyl sulfate potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt,4-methylumbelliferyl sulfate, potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt 1:1,potassium 4-methyl-2-oxo-2h-chromen-7-yl sulfate,potassium 4-methyl-2-oxochromen-7-yl sulfate,c10h7o6s.k,potassium 4-methyl-2-oxo-2h-1-benzopyran-7-yl sulphate,potassium 4-methylumbelliferyl sulfate PubChem CID: 5044226 IUPAC Name: potassium;(4-methyl-2-oxochromen-7-yl) sulfate SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)[O-].[K+]
4-Methylumbelliferone, 97%
CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
4-Bromomethyl-6,7-dimethoxycoumarin, 95%
CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 MDL Number: MFCD00011570 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC