Vitas-M small molecule compound
methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827645
SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccccc1
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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 C23H20FN3O3S MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O3S/c1-14-20(23(29)30-2)21(16-10-6-7-11-18(16)24)17(12-25)22(26-14)31-13-19(28)27-15-8-4-3-5-9-15/h3-11,21,26H,13H2,1-2H3,(H,27,28)InChIKey
DPNIAXQEQVPJSJ-UHFFFAOYSA-NSynonyms
684238-11-7684238117
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3F)C(=O)OC
InChI=1SC23H20FN3O3Sc11420(23(29)302)21(1610671118(16)24)17(1225)22(2614)311319(28)27158435915h3112126H13H212H3(H2728)
methyl5cyano4(2fluorophenyl)2methyl6((2oxo2(phenylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
METHYL5CYANO4(2FLUOROPHENYL)2METHYL6((2OXO2(PHENYLAMINO)ETHYL)THIO)14DIHYDROPYRIDINE3CARBOXYLATE
METHYL6(2ANILINO2OXOETHYL)SULFANYL5CYANO4(2FLUOROPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03723855
ZINC000001143081
ZINC000001143082
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