Vitas-M small molecule compound
N-{1-(cyclohex-3-en-1-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide
Catalog ID
STL446846
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1C)C1CCC=CC1
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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 C31H36N4O3S MW 544.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O3S/c1-21-10-8-9-13-25(21)19-35(28(36)20-39-31-32-22(2)18-23(3)33-31)29(24-11-6-5-7-12-24)30(37)34-26-14-16-27(38-4)17-15-26/h5-6,8-10,13-18,24,29H,7,11-12,19-20H2,1-4H3,(H,34,37)InChIKey
XMDGGGPVNQKKBX-UHFFFAOYSA-NSynonyms
2(CYCLOHEX3ENYL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)N(4METHOXYPHENYL)ACETAMIDE
2CYCLOHEX3EN1YL2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)ACETAMIDE
CC1=CC=CC=C1CN(C(C2CCC=CC2)C(=O)NC3=CC=C(C=C3)OC)C(=O)CSC4=NC(=CC(=N4)C)C
InChI=1SC31H36N4O3Sc12110891325(21)1935(28(36)2039313222(2)1823(3)3331)29(24116571224)30(37)3426141627(384)171526h5681013182429H711121920H214H3(H3437)
MFCD06243976
N(1(cyclohex3en1yl)2((4methoxyphenyl)amino)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2methylbenzyl)acetamide
ZINC000001407984
ZINC000001407987
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