Vitas-M small molecule compound
methyl 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-4-[4-(propan-2-yl)phenyl]-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK846666
SMILES COC(=O)C1C(=NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)Nc1cccc(c1)Cl)O
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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 C25H24ClN3O4S MW 498.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O4S/c1-14(2)15-7-9-16(10-8-15)21-19(12-27)24(29-23(31)22(21)25(32)33-3)34-13-20(30)28-18-6-4-5-17(26)11-18/h4-11,14,21-22H,13H2,1-3H3,(H,28,30)(H,29,31)InChIKey
NVZUKYGJIXAREM-UHFFFAOYSA-NSynonyms
383895-89-4383895894
CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)Cl)C(=O)OC
InChI=1SC25H24ClN3O4Sc114(2)157916(10815)2119(1227)24(2923(31)22(21)25(32)333)341320(30)281864517(26)1118h411142122H13H213H3(H2830)(H2931)
methyl6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2hydroxy4(4(propan2yl)phenyl)34dihydropyridine3carboxylate
METHYL6(2(3CHLOROANILINO)2OXOETHYL)SULFANYL5CYANO2OXO4(4PROPAN2YLPHENYL)34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03815625
ZINC000002312263
ZINC000009270770
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