Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827624
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1[N+](=O)[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 C23H20N4O6S MW 480.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6S/c1-3-10-33-23(29)20-14(2)25-22(15(12-24)21(20)18-9-6-11-32-18)34-13-19(28)26-16-7-4-5-8-17(16)27(30)31/h3-9,11,21,25H,1,10,13H2,2H3,(H,26,28)InChIKey
BIQLVNDTOPLSPH-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1(N+)(=O)(O)
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=CO3)C(=O)OCC=C
InChI=1SC23H20N4O6Sc13103323(29)2014(2)2522(15(1224)21(20)1896113218)341319(28)2616745817(16)27(30)31h39112125H11013H22H3(H2628)
MFCD10088148
prop2en1yl5cyano4(furan2yl)2methyl6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl5cyano4(furan2yl)2methyl6(2(2nitroanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000020348570
ZINC000020348572
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