Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-1-[{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}(4-methoxybenzyl)amino]cyclohexanecarboxamide

Catalog ID
STL446783
SMILES COc1ccc(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 C30H34N4O5S MW 562.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O5S/c1-20-15-21(2)32-29(31-20)40-18-27(35)34(17-22-7-10-24(37-3)11-8-22)30(13-5-4-6-14-30)28(36)33-23-9-12-25-26(16-23)39-19-38-25/h7-12,15-16H,4-6,13-14,17-19H2,1-3H3,(H,33,36)
InChIKey
YDNDTMRBPFKCDK-UHFFFAOYSA-N
Synonyms

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)OC)C3(CCCCC3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC30H34N4O5Sc1201521(2)3229(3120)401827(35)34(172271024(373)11822)30(135461430)28(36)33239122526(1623)39193825h7121516H4613141719H213H3(H3336)
MFCD06243970
N(13benzodioxol5yl)1((((46dimethylpyrimidin2yl)sulfanyl)acetyl)(4methoxybenzyl)amino)cyclohexanecarboxamide
N(13BENZODIOXOL5YL)1((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4METHOXYPHENYL)METHYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
N(BENZO(D)(13)DIOXOL5YL)1(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(4METHOXYBENZYL)ACETAMIDO)CYCLOHEXANECARBOXAMIDE
ZINC000008713088
ZINC8713088

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Available files

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