Vitas-M small molecule compound

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-{2-[(4-methoxyphenyl)amino]-2-oxo-1-phenylethyl}-N-(4-methylbenzyl)acetamide

Catalog ID
STL439001
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccc(cc1)C)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 C31H32N4O3S MW 540.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O3S/c1-21-10-12-24(13-11-21)19-35(28(36)20-39-31-32-22(2)18-23(3)33-31)29(25-8-6-5-7-9-25)30(37)34-26-14-16-27(38-4)17-15-26/h5-18,29H,19-20H2,1-4H3,(H,34,37)
InChIKey
UVSTWTMEDRHPIR-UHFFFAOYSA-N
Synonyms

2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4METHYLPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)2PHENYLACETAMIDE
2((46dimethylpyrimidin2yl)sulfanyl)N(2((4methoxyphenyl)amino)2oxo1phenylethyl)N(4methylbenzyl)acetamide
CC1=CC=C(C=C1)CN(C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)C(=O)CSC4=NC(=CC(=N4)C)C
InChI=1SC31H32N4O3Sc121101224(131121)1935(28(36)2039313222(2)1823(3)3331)29(258657925)30(37)3426141627(384)171526h51829H1920H214H3(H3437)
MFCD09957983
ZINC000001407545
ZINC000001407546

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Available files

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