Vitas-M small molecule compound
methyl 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK850540
SMILES CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2cccc(c2)Cl)N=C(C1C(=O)OC)O)C#N
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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 C24H22ClN3O5S MW 499.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O5S/c1-3-33-17-9-7-14(8-10-17)20-18(12-26)23(28-22(30)21(20)24(31)32-2)34-13-19(29)27-16-6-4-5-15(25)11-16/h4-11,20-21H,3,13H2,1-2H3,(H,27,29)(H,28,30)InChIKey
NEIMBNCHOQELHE-UHFFFAOYSA-NSynonyms
497247-23-1497247231
CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)Cl)C(=O)OC
InChI=1SC24H22ClN3O5Sc1333179714(81017)2018(1226)23(2822(30)21(20)24(31)322)341319(29)271664515(25)1116h4112021H313H212H3(H2729)(H2830)
methyl6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano4(4ethoxyphenyl)2hydroxy34dihydropyridine3carboxylate
METHYL6(2(3CHLOROANILINO)2OXOETHYL)SULFANYL5CYANO4(4ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD07204587
ZINC000009379768
ZINC000016994626
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