Vitas-M small molecule compound
5-acetyl-4-(2-bromophenyl)-6-methyl-2-[(2-nitrobenzyl)sulfanyl]-1,4-dihydropyridine-3-carbonitrile
Catalog ID
STK957289
SMILES N#CC1=C(SCc2ccccc2[N+](=O)[O-])NC(=C(C1c1ccccc1Br)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 C22H18BrN3O3S MW 484.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O3S/c1-13-20(14(2)27)21(16-8-4-5-9-18(16)23)17(11-24)22(25-13)30-12-15-7-3-6-10-19(15)26(28)29/h3-10,21,25H,12H2,1-2H3InChIKey
TVWAEOREKSLPIC-UHFFFAOYSA-NSynonyms
362482-59-5362482595
5acetyl4(2bromophenyl)6methyl2((2nitrobenzyl)sulfanyl)14dihydropyridine3carbonitrile
5ACETYL4(2BROMOPHENYL)6METHYL2((2NITROPHENYL)METHYLSULFANYL)14DIHYDROPYRIDINE3CARBONITRILE
CC1=C(C(C(=C(N1)SCC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=CC=C3Br)C(=O)C
InChI=1SC22H18BrN3O3Sc11320(14(2)27)21(16845918(16)23)17(1124)22(2513)3012157361019(15)26(28)29h3102125H12H212H3
MFCD01451803
N#CC1=C(SCc2ccccc2(N+)(=O)(O))NC(=C(C1c1ccccc1Br)C(=O)C)C
ZINC000013881999
ZINC000013882000
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