Vitas-M small molecule compound
5-acetyl-4-(2-chlorophenyl)-6-methyl-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Catalog ID
STK886331
SMILES N#CC1=C(SCC(=O)c2cccc(c2)[N+](=O)[O-])NC(=C(C1c1ccccc1Cl)C(=O)C)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 C23H18ClN3O4S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O4S/c1-13-21(14(2)28)22(17-8-3-4-9-19(17)24)18(11-25)23(26-13)32-12-20(29)15-6-5-7-16(10-15)27(30)31/h3-10,22,26H,12H2,1-2H3InChIKey
HDWKIOSCEGCLTI-UHFFFAOYSA-NSynonyms
5acetyl4(2chlorophenyl)6methyl2((2(3nitrophenyl)2oxoethyl)sulfanyl)14dihydropyridine3carbonitrile
5ACETYL4(2CHLOROPHENYL)6METHYL2(2(3NITROPHENYL)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBONITRILE
5ACETYL4(2CHLOROPHENYL)6METHYL2(2(3NITROPHENYL)2OXOETHYLSULFANYL)14DIHYDROPYRIDINE3CARBONITRILE
CC1=C(C(C(=C(N1)SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C#N)C3=CC=CC=C3Cl)C(=O)C
InChI=1SC23H18ClN3O4Sc11321(14(2)28)22(17834919(17)24)18(1125)23(2613)321220(29)1565716(1015)27(30)31h3102226H12H212H3
MFCD01456132
N#CC1=C(SCC(=O)c2cccc(c2)(N+)(=O)(O))NC(=C(C1c1ccccc1Cl)C(=O)C)C
ZINC000012250532
ZINC000012250533
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