Vitas-M small molecule compound
N-[1-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-fluorobenzyl)acetamide
Catalog ID
STL439122
SMILES Fc1ccc(cc1)CN(C(c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2)C(=O)CSc1nc(C)cc(n1)C
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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 C31H27FN4O6S MW 602.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27FN4O6S/c1-18-11-19(2)34-31(33-18)43-15-28(37)36(14-20-3-6-22(32)7-4-20)29(21-5-9-24-26(12-21)41-16-39-24)30(38)35-23-8-10-25-27(13-23)42-17-40-25/h3-13,29H,14-17H2,1-2H3,(H,35,38)InChIKey
KVGONWHEMSEBOE-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)F)C(C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC6=C(C=C5)OCO6)C
InChI=1SC31H27FN4O6Sc1181119(2)3431(3318)431528(37)36(14203622(32)7420)29(21592426(1221)41163924)30(38)35238102527(1323)42174025h31329H1417H212H3(H3538)
MFCD06243990
N(1(13benzodioxol5yl)2(13benzodioxol5ylamino)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(4fluorobenzyl)acetamide
N2BIS(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4FLUOROPHENYL)METHYL)AMINO)ACETAMIDE
N2DI(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(4FLUOROBENZYL)ACETAMIDO)ACETAMIDE
ZINC000008713695
ZINC000008713697
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