Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-1-[{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}(4-fluorobenzyl)amino]cyclohexanecarboxamide
Catalog ID
STL446779
SMILES Fc1ccc(cc1)CN(C1(CCCCC1)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 C29H31FN4O4S MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31FN4O4S/c1-19-14-20(2)32-28(31-19)39-17-26(35)34(16-21-6-8-22(30)9-7-21)29(12-4-3-5-13-29)27(36)33-23-10-11-24-25(15-23)38-18-37-24/h6-11,14-15H,3-5,12-13,16-18H2,1-2H3,(H,33,36)InChIKey
PPFWLEZUFAYWBO-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)F)C3(CCCCC3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC29H31FN4O4Sc1191420(2)3228(3119)391726(35)34(16216822(30)9721)29(124351329)27(36)332310112425(1523)38183724h6111415H3512131618H212H3(H3336)
MFCD06243966
N(13benzodioxol5yl)1((((46dimethylpyrimidin2yl)sulfanyl)acetyl)(4fluorobenzyl)amino)cyclohexanecarboxamide
N(13BENZODIOXOL5YL)1((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4FLUOROPHENYL)METHYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
N(BENZO(D)(13)DIOXOL5YL)1(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(4FLUOROBENZYL)ACETAMIDO)CYCLOHEXANECARBOXAMIDE
ZINC000008713080
ZINC8713080
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