Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-1-(benzyl{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)cyclohexanecarboxamide
Catalog ID
STL446772
SMILES Cc1nc(SCC(=O)N(C2(CCCCC2)C(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2)nc(c1)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 C29H32N4O4S MW 532.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O4S/c1-20-15-21(2)31-28(30-20)38-18-26(34)33(17-22-9-5-3-6-10-22)29(13-7-4-8-14-29)27(35)32-23-11-12-24-25(16-23)37-19-36-24/h3,5-6,9-12,15-16H,4,7-8,13-14,17-19H2,1-2H3,(H,32,35)InChIKey
WHGRWVKJCKMVJA-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C3(CCCCC3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC29H32N4O4Sc1201521(2)3128(3020)381826(34)33(172295361022)29(137481429)27(35)322311122425(1623)37193624h3569121516H47813141719H212H3(H3235)
MFCD06243959
N(13benzodioxol5yl)1(benzyl(((46dimethylpyrimidin2yl)sulfanyl)acetyl)amino)cyclohexanecarboxamide
N(13BENZODIOXOL5YL)1(BENZYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
N(BENZO(D)(13)DIOXOL5YL)1(NBENZYL2(46DIMETHYLPYRIMIDIN2YLTHIO)ACETAMIDO)CYCLOHEXANECARBOXAMIDE
ZINC000008713061
ZINC8713061
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