Vitas-M small molecule compound
benzyl {[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK725772
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccccc1[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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c22-11-17-16(15-8-4-5-9-18(15)24(27)28)10-19(25)23-21(17)30-13-20(26)29-12-14-6-2-1-3-7-14/h1-9,16H,10,12-13H2,(H,23,25)InChIKey
FZFBFFJCVVQTPM-UHFFFAOYSA-NSynonyms
332046-01-2benzyl((3cyano4(2nitrophenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano4(2nitrophenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
BENZYL2((5CYANO4(2NITROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01461526
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccccc1(N+)(=O)(O)
ZINC000001861291
ZINC000003248747
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