Phenylpropanoids and polyketides
(+/-)-2-Phenylpropionic acid, 98%
CAS: 492-37-5 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.177 Numéro MDL: MFCD00002650 Clé InChI: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonyme: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid CID PubChem: 10296 ChEBI: CHEBI:48526 Nom IUPAC: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
1,3-Diphenylpropane, 98%
CAS: 1081-75-0 Formule moléculaire: C15H16 Poids moléculaire (g/mol): 196.29 Numéro MDL: MFCD00043574 Clé InChI: VEAFKIYNHVBNIP-UHFFFAOYSA-N Synonyme: 1,3-diphenylpropane,3-phenylpropyl benzene,dibenzylmethane,propane, 1,3-diphenyl,unii-x3diq9w9po,3-phenyl-propyl-benzene,x3diq9w9po,benzene, 1,1'-1,3-propanediyl bis,propane, 1,3-diphenyl-8ci,benzene, 1,1'-1,3-propanediyl bis-9ci CID PubChem: 14125 ChEBI: CHEBI:34060 Nom IUPAC: 3-phenylpropylbenzene SMILES: C(CC1=CC=CC=C1)CC1=CC=CC=C1
Cinnamyl alcohol, 98% trans
CAS: 104-54-1 Formule moléculaire: C9H10O Poids moléculaire (g/mol): 134.18 Numéro MDL: MFCD00002921 Clé InChI: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonyme: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol CID PubChem: 5315892 ChEBI: CHEBI:33227 Nom IUPAC: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO
3,3'-Carbonylbis(7-diethylaminocoumarin), 99%
CAS: 63226-13-1 Formule moléculaire: C27H28N2O5 Poids moléculaire (g/mol): 460.52 Numéro MDL: MFCD00050047 Clé InChI: SANIRTQDABNCHF-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 113160 Nom IUPAC: 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
7-Diethylamino-4-methylcoumarin, 99%
CAS: 91-44-1 Formule moléculaire: C14H17NO2 Poids moléculaire (g/mol): 231.295 Numéro MDL: MFCD00006864 Clé InChI: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonyme: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p CID PubChem: 7050 ChEBI: CHEBI:51938 Nom IUPAC: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
3-(2-Chloro-6-fluorophenyl)propionic acid, 96%
CAS: 88740-77-6 Formule moléculaire: C9H8ClFO2 Poids moléculaire (g/mol): 202.61 Numéro MDL: MFCD06660331 Clé InChI: IJIZOJZUZZTIDJ-UHFFFAOYSA-N Synonyme: 3-2-chloro-6-fluorophenyl propanoic acid,3-2-chloro-6-fluorophenyl propionic acid,benzenepropanoicacid, 2-chloro-6-fluoro,acmc-20afgf,3-2-chloro-6-fluorophenyl propanoicacid,3-6-chloro-2-fluorophenyl propanoic acid CID PubChem: 9149705 Nom IUPAC: 3-(2-chloro-6-fluorophenyl)propanoic acid SMILES: OC(=O)CCC1=C(F)C=CC=C1Cl
(+/-)-Equol, Thermo Scientific Chemicals
CAS: 94105-90-5 Formule moléculaire: C15H14O3 Poids moléculaire (g/mol): 242.27 Numéro MDL: MFCD00016662 Clé InChI: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonyme: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol CID PubChem: 382975 Nom IUPAC: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
(R)-(-)-2-Phenylpropionic acid, 97%
CAS: 7782-26-5 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.177 Numéro MDL: MFCD00063140 Clé InChI: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonyme: r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid CID PubChem: 446626 ChEBI: CHEBI:43035 Nom IUPAC: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
Dicumarol, 99%
CAS: 66-76-2 Formule moléculaire: C19H12O6 Poids moléculaire (g/mol): 336.30 Numéro MDL: MFCD00006857 Clé InChI: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonyme: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl CID PubChem: 54676038 ChEBI: CHEBI:4513 Nom IUPAC: 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
Rifabutin, 98%, Thermo Scientific Chemicals
CAS: 72559-06-9 Formule moléculaire: C46H62N4O11 Poids moléculaire (g/mol): 847.02 Numéro MDL: MFCD00866816 Clé InChI: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonyme: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 CID PubChem: 57448257 Nom IUPAC: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
3',4',5,7-Tetramethoxyflavone, 97%
CAS: 855-97-0 Formule moléculaire: C19H18O6 Poids moléculaire (g/mol): 342.35 Numéro MDL: MFCD00017558 Clé InChI: CLXVBVLQKLQNRQ-UHFFFAOYSA-N Synonyme: 3',4',5,7-tetramethoxyflavone,luteolin tetramethyl ether,tetramethoxyluteolin,5,7,3',4'-tetramethylluteolin,tetramethylluteolin,2-3,4-dimethoxyphenyl-5,7-dimethoxy-4h-chromen-4-one,luteolin tetramethylether,2-3,4-dimethoxyphenyl-5,7-dimethoxychromen-4-one,luteolin 5,7,3',4'-tetramethyl ether,4h-1-benzopyran-4-one, 2-3,4-dimethoxyphenyl-5,7-dimethoxy CID PubChem: 631170 Nom IUPAC: 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one SMILES: COC1=CC(OC)=C2C(=O)C=C(OC2=C1)C1=CC=C(OC)C(OC)=C1
Paraffin, pure, wax, granular
CAS: 8002-74-2 Formule moléculaire: CnH2n+2 Poids moléculaire (g/mol): 341.451 Numéro MDL: MFCD00132833 Clé InChI: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonyme: propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn CID PubChem: 4932 ChEBI: CHEBI:63619 Nom IUPAC: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
1,3-Dibenzoyloxybenzene, 98%, Thermo Scientific Chemicals
CAS: 94-01-9 Formule moléculaire: C20H14O4 Poids moléculaire (g/mol): 318.33 Numéro MDL: MFCD00016576 Clé InChI: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonyme: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate CID PubChem: 66742 Nom IUPAC: (3-benzoyloxyphenyl) benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
3,4-Dimethoxycinnamic acid, 99%, predominantly trans isomer
CAS: 2316-26-9 Formule moléculaire: C11H12O4 Poids moléculaire (g/mol): 208.21 Numéro MDL: MFCD00004387 Clé InChI: HJBWJAPEBGSQPR-GQCTYLIASA-N Synonyme: 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid CID PubChem: 717531 ChEBI: CHEBI:86549 Nom IUPAC: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC
4-Amino-4'-nitrostilbene-2,2'-disulfonic acid, tech. 80%, Thermo Scientific Chemicals
CAS: 119-72-2 Formule moléculaire: C14H12N2O8S2 Poids moléculaire (g/mol): 400.376 Numéro MDL: MFCD00035915 Clé InChI: GHBWBMDGBCKAQU-OWOJBTEDSA-N Synonyme: 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 CID PubChem: 5473847 Nom IUPAC: 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