Vitas-M small molecule compound

methyl 4-({[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK232502
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc(C)cc(n1)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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-14-12-18(15-6-4-3-5-7-15)24-21(22-14)28-13-19(25)23-17-10-8-16(9-11-17)20(26)27-2/h3-12H,13H2,1-2H3,(H,23,25)
InChIKey
PVTCZMUOBKMAIW-UHFFFAOYSA-N
Synonyms
511299-91-5
511299915
CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC21H19N3O3Sc1141218(156435715)2421(2214)281319(25)231710816(91117)20(26)272h312H13H212H3(H2325)
METHYL4((((4METHYL6PHENYLPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2(4METHYL6PHENYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
MFCD03772444
ZINC000006796851
ZINC06796851
ZINC6796851

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Available files

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