Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887237
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)C
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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 C26H24FN3O3S MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O3S/c1-4-13-33-26(32)23-17(3)29-25(20(14-28)24(23)19-7-5-6-8-21(19)27)34-15-22(31)30-18-11-9-16(2)10-12-18/h4-12,24,29H,1,13,15H2,2-3H3,(H,30,31)InChIKey
LYWBMKCGPPIHKW-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3F)C#N
InChI=1SC26H24FN3O3Sc14133326(32)2317(3)2925(20(1428)24(23)19756821(19)27)341522(31)301811916(2)101218h4122429H11315H223H3(H3031)
MFCD10088075
prop2en1yl5cyano4(2fluorophenyl)2methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl5cyano4(2fluorophenyl)2methyl6(2(4methylanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000020348424
ZINC000020348425
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