Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-1-[{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}(2-methylbenzyl)amino]cyclohexanecarboxamide
Catalog ID
STL446776
SMILES Cc1nc(SCC(=O)N(C2(CCCCC2)C(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2C)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 C30H34N4O4S MW 546.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O4S/c1-20-9-5-6-10-23(20)17-34(27(35)18-39-29-31-21(2)15-22(3)32-29)30(13-7-4-8-14-30)28(36)33-24-11-12-25-26(16-24)38-19-37-25/h5-6,9-12,15-16H,4,7-8,13-14,17-19H2,1-3H3,(H,33,36)InChIKey
RTYKLGLUUBNPNN-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1CN(C(=O)CSC2=NC(=CC(=N2)C)C)C3(CCCCC3)C(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC30H34N4O4Sc1209561023(20)1734(27(35)1839293121(2)1522(3)3229)30(137481430)28(36)332411122526(1624)38193725h569121516H47813141719H213H3(H3336)
MFCD06243963
N(13benzodioxol5yl)1((((46dimethylpyrimidin2yl)sulfanyl)acetyl)(2methylbenzyl)amino)cyclohexanecarboxamide
N(13BENZODIOXOL5YL)1((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
N(BENZO(D)(13)DIOXOL5YL)1(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)CYCLOHEXANECARBOXAMIDE
ZINC000008713070
ZINC08713070
ZINC8713070
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