Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-fluorobenzyl)-N-{2-[(4-methoxyphenyl)amino]-2-oxo-1-phenylethyl}acetamide
Catalog ID
STL439000
SMILES COc1ccc(cc1)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 C30H29FN4O3S MW 544.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN4O3S/c1-20-17-21(2)33-30(32-20)39-19-27(36)35(18-23-11-7-8-12-26(23)31)28(22-9-5-4-6-10-22)29(37)34-24-13-15-25(38-3)16-14-24/h4-17,28H,18-19H2,1-3H3,(H,34,37)InChIKey
WFIKDEOTAZKLRY-UHFFFAOYSA-NSynonyms
2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2FLUOROPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)2PHENYLACETAMIDE
2((46dimethylpyrimidin2yl)sulfanyl)N(2fluorobenzyl)N(2((4methoxyphenyl)amino)2oxo1phenylethyl)acetamide
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2F)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OC)C
InChI=1SC30H29FN4O3Sc1201721(2)3330(3220)391927(36)35(182311781226(23)31)28(2295461022)29(37)3424131525(383)161424h41728H1819H213H3(H3437)
MFCD09958007
ZINC000001407550
ZINC000001407551
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