Vitas-M small molecule compound
benzyl {[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK563454
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1cccc(c1)[N+](=O)[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/c22-11-18-17(15-7-4-8-16(9-15)24(27)28)10-19(25)23-21(18)30-13-20(26)29-12-14-5-2-1-3-6-14/h1-9,17H,10,12-13H2,(H,23,25)InChIKey
GQWAOZMSAFBZDO-UHFFFAOYSA-NSynonyms
benzyl((3cyano6hydroxy4(3nitrophenyl)45dihydropyridin2yl)sulfanyl)acetate
BENZYL2((5CYANO4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H17N3O5Sc22111817(1574816(915)24(27)28)1019(25)2321(18)301320(26)2912145213614h1917H101213H2(H2325)
MFCD04078844
N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1cccc(c1)(N+)(=O)(O))O
ZINC000002299261
ZINC000002299262
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