Phenylpropanoids and polyketides
6,7-Dihydroxycoumarin, 98+%
CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O
Coumarin, 98%
CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone PubChem CID: 323 ChEBI: CHEBI:28794 SMILES: O=C1OC2=CC=CC=C2C=C1
7-Hydroxy-4-(trifluoromethyl)coumarin, 98%
CAS: 575-03-1 Molecular Formula: C10H5F3O3 Molecular Weight (g/mol): 230.142 MDL Number: MFCD00037578 InChI Key: CCKWMCUOHJAVOL-UHFFFAOYSA-N Synonym: 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu PubChem CID: 5375667 IUPAC Name: 7-hydroxy-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
Scopoletin, 95%
CAS: 92-61-5 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006872 InChI Key: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC Name: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O
5,7-Dihydroxy-4-methylcoumarin, 98%
CAS: 2107-76-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016966 InChI Key: QNVWGEJMXOQQPM-UHFFFAOYSA-N Synonym: 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m PubChem CID: 5354284 IUPAC Name: 5,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Thermo Scientific Chemicals 7-Hydroxy-4-methylcoumarin, 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
7,8-Dihydroxy-4-methylcoumarin, 97%
CAS: 2107-77-9 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016972 InChI Key: NWQBYMPNIJXFNQ-UHFFFAOYSA-N Synonym: 7,8-dihydroxy-4-methylcoumarin,4-methyldaphnetin,7,8-dihydroxy-4-methyl-2h-chromen-2-one,4-methyldaphnetine,4-methyl-7,8-dihydroxycoumarin,2h-1-benzopyran-2-one, 7,8-dihydroxy-4-methyl,coumarin, 7,8-dihydroxy-4-methyl,7,8-dihydroxy-4-methyl-2h-1-benzopyran-2-one,7,8-dihydroxy-4-methyl-chromen-2-one,7,8-dihydroxy-4-methyl-2-benzopyrone PubChem CID: 5355836 SMILES: CC1=CC(=O)OC2=C(O)C(O)=CC=C12
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
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
Dicumarol, 99%
CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
Chlortetracycline hydrochloride, specified according to the requirements of Ph.Eur.
CAS: 64-72-2 Molecular Formula: C22H23ClN2O8·HCl Molecular Weight (g/mol): 515.33 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
Thermo Scientific Chemicals 4-Epioxytetracycline, 'can be used as secondary standard'
CAS: 14206-58-7 Molecular Formula: C22H24N2O9 Molecular Weight (g/mol): 460.43 MDL Number: MFCD00062825 InChI Key: OWFJMIVZYSDULZ-DVJPNYBFSA-N Synonym: 4-epioxytetracyline,unii-73von8sry5,4-epioxytetracycline,73von8sry5,4r,4ar,5s,5ar,6s,12as-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide,hydroxy quatrimycin,oxytetracycline dihydrate specified impurity a ep,oxytetracycline hydrochloride specified impurity a ep,4r,4ar,5s,5ar,6s,12as-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide,2-naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, 4r,4ar,5s,5ar,6s,12as PubChem CID: 54678403 IUPAC Name: (4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide SMILES: CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)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
Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyde, 98%
CAS: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O
alpha-Bromocinnamaldehyde, 98%
CAS: 5443-49-2 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00006965 InChI Key: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonym: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo PubChem CID: 5369403 IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br