Vitas-M small molecule compound
N-{2-[(2,4-dimethoxyphenyl)amino]-2-oxo-1-phenylethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-fluorobenzyl)acetamide
Catalog ID
STL446956
SMILES COc1ccc(c(c1)OC)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1F)c1ccccc1
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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 C31H31FN4O4S MW 574.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN4O4S/c1-20-16-21(2)34-31(33-20)41-19-28(37)36(18-23-12-8-9-13-25(23)32)29(22-10-6-5-7-11-22)30(38)35-26-15-14-24(39-3)17-27(26)40-4/h5-17,29H,18-19H2,1-4H3,(H,35,38)InChIKey
IBHYKLHTAJMQGR-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2F)C(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)OC)C
InChI=1SC31H31FN4O4Sc1201621(2)3431(3320)411928(37)36(182312891325(23)32)29(22106571122)30(38)3526151424(393)1727(26)404h51729H1819H214H3(H3538)
MFCD06244036
N(2((24dimethoxyphenyl)amino)2oxo1phenylethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2fluorobenzyl)acetamide
N(24DIMETHOXYPHENYL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2FLUOROPHENYL)METHYL)AMINO)2PHENYLACETAMIDE
N(24DIMETHOXYPHENYL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2FLUOROBENZYL)ACETAMIDO)2PHENYLACETAMIDE
ZINC000008713635
ZINC000008713638
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