Vitas-M small molecule compound

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-fluorobenzyl)-N-{2-[(4-methoxyphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}acetamide

Catalog ID
STL437587
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1F)c1ccc(cc1)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 C31H31FN4O3S MW 558.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN4O3S/c1-20-9-11-23(12-10-20)29(30(38)35-25-13-15-26(39-4)16-14-25)36(18-24-7-5-6-8-27(24)32)28(37)19-40-31-33-21(2)17-22(3)34-31/h5-17,29H,18-19H2,1-4H3,(H,35,38)
InChIKey
HJIZLPOGWGQVCC-UHFFFAOYSA-N
Synonyms

2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2FLUOROPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)2(4METHYLPHENYL)ACETAMIDE
2((46dimethylpyrimidin2yl)sulfanyl)N(2fluorobenzyl)N(2((4methoxyphenyl)amino)1(4methylphenyl)2oxoethyl)acetamide
CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N(CC3=CC=CC=C3F)C(=O)CSC4=NC(=CC(=N4)C)C
InChI=1SC31H31FN4O3Sc12091123(121020)29(30(38)3525131526(394)161425)36(1824756827(24)32)28(37)1940313321(2)1722(3)3431h51729H1819H214H3(H3538)
MFCD09958008
ZINC000001407552
ZINC000001407553

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.