Vitas-M small molecule compound
2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Catalog ID
STK827659
SMILES CCOc1ccc(cc1)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccccc1[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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c1-2-31-15-9-7-14(8-10-15)16-11-20(27)25-22(17(16)12-23)32-13-21(28)24-18-5-3-4-6-19(18)26(29)30/h3-10,16H,2,11,13H2,1H3,(H,24,28)(H,25,27)InChIKey
XBGBDOBKKHPVJP-UHFFFAOYSA-NSynonyms
683794-26-52((3cyano4(4ethoxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)N(2nitrophenyl)acetamide
2((5CYANO4(4ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(2NITROPHENYL)ACETAMIDE
683794265
CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3(N+)(=O)(O)
CCOc1ccc(cc1)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccccc1(N+)(=O)(O)
InChI=1SC22H20N4O5Sc1231159714(81015)161120(27)2522(17(16)1223)321321(28)2418534619(18)26(29)30h31016H21113H21H3(H2428)(H2527)
MFCD03723927
ZINC000012276876
ZINC000012276877
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