Vitas-M small molecule compound
2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(2-nitrophenyl)acetamide
Catalog ID
STK887253
SMILES N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)CC1c1ccc(cc1)OCc1ccccc1
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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 C27H22N4O5S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5S/c28-15-22-21(19-10-12-20(13-11-19)36-16-18-6-2-1-3-7-18)14-25(32)30-27(22)37-17-26(33)29-23-8-4-5-9-24(23)31(34)35/h1-13,21H,14,16-17H2,(H,29,33)(H,30,32)InChIKey
KROOXOCMBBVDES-UHFFFAOYSA-NSynonyms
2((4(4(benzyloxy)phenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)N(2nitrophenyl)acetamide
2((5cyano2oxo4(4phenylmethoxyphenyl)34dihydro1Hpyridin6yl)sulfanyl)N(2nitrophenyl)acetamide
C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI=1SC27H22N4O5Sc28152221(19101220(131119)3616186213718)1425(32)3027(22)371726(33)2923845924(23)31(34)35h11321H141617H2(H2933)(H3032)
MFCD10088102
N#CC1=C(SCC(=O)Nc2ccccc2(N+)(=O)(O))NC(=O)CC1c1ccc(cc1)OCc1ccccc1
ZINC000012276859
ZINC000012276860
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