Vitas-M small molecule compound
N-(2-chlorobenzyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-{1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}acetamide
Catalog ID
STL439007
SMILES COc1ccc(cc1)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1Cl)C(=O)Nc1ccc(cc1)OC
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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 C31H31ClN4O4S MW 591.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31ClN4O4S/c1-20-17-21(2)34-31(33-20)41-19-28(37)36(18-23-7-5-6-8-27(23)32)29(22-9-13-25(39-3)14-10-22)30(38)35-24-11-15-26(40-4)16-12-24/h5-17,29H,18-19H2,1-4H3,(H,35,38)InChIKey
OOFDTRVZADYIDV-UHFFFAOYSA-NSynonyms
2((2CHLOROPHENYL)METHYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)N2BIS(4METHOXYPHENYL)ACETAMIDE
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2Cl)C(C3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)OC)C
InChI=1SC31H31ClN4O4Sc1201721(2)3431(3320)411928(37)36(1823756827(23)32)29(2291325(393)141022)30(38)3524111526(404)161224h51729H1819H214H3(H3538)
MFCD06244028
N(2chlorobenzyl)2((46dimethylpyrimidin2yl)sulfanyl)N(1(4methoxyphenyl)2((4methoxyphenyl)amino)2oxoethyl)acetamide
N(2CHLOROBENZYL)2(46DIMETHYLPYRIMIDIN2YLTHIO)N(1(4METHOXYPHENYL)2(4METHOXYPHENYLAMINO)2OXOETHYL)ACETAMIDE
ZINC000008713526
ZINC000008713528
ZINC08713528
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