Vitas-M small molecule compound
2-{[3-cyano-6-hydroxy-4-(2-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK564353
SMILES CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccccc1[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)24-21(28)13-32-22-18(12-23)17(11-20(27)25-22)16-5-3-4-6-19(16)26(29)30/h3-10,17H,2,11,13H2,1H3,(H,24,28)(H,25,27)InChIKey
FMSRKPLTYVRJCI-UHFFFAOYSA-NSynonyms
2((3cyano6hydroxy4(2nitrophenyl)45dihydropyridin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CC=C3(N+)(=O)(O))C#N
CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccccc1(N+)(=O)(O)
InChI=1SC22H20N4O5Sc1231159714(81015)2421(28)13322218(1223)17(1120(27)2522)16534619(16)26(29)30h31017H21113H21H3(H2428)(H2527)
MFCD04073790
ZINC000002292255
ZINC000002292256
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