Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-fluorobenzyl)acetamide
Catalog ID
STL439127
SMILES COc1cc(ccc1O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccc(cc1)F)C(=O)Nc1ccc2c(c1)OCO2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H29FN4O6S MW 604.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN4O6S/c1-18-12-19(2)34-31(33-18)43-16-28(38)36(15-20-4-7-22(32)8-5-20)29(21-6-10-24(37)26(13-21)40-3)30(39)35-23-9-11-25-27(14-23)42-17-41-25/h4-14,29,37H,15-17H2,1-3H3,(H,35,39)InChIKey
SVDUEFPKOHPGLG-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)F)C(C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC31H29FN4O6Sc1181219(2)3431(3318)431628(38)36(15204722(32)8520)29(2161024(37)26(1321)403)30(39)35239112527(1423)42174125h4142937H1517H213H3(H3539)
MFCD06243995
N(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4FLUOROPHENYL)METHYL)AMINO)2(4HYDROXY3METHOXYPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)1(4hydroxy3methoxyphenyl)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(4fluorobenzyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(4FLUOROBENZYL)ACETAMIDO)2(4HYDROXY3METHOXYPHENYL)ACETAMIDE
ZINC000008713714
ZINC000008713716
Check stock
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Check stock on Vitas-MAvailable files
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