Vitas-M small molecule compound
(2E)-2-cyano-N-(2,5-dimethylphenyl)-3-[3-nitro-4-(pyrimidin-2-ylsulfanyl)phenyl]prop-2-enamide
Catalog ID
STL506534
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1ncccn1)/C(=O)Nc1cc(C)ccc1C
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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 C22H17N5O3S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O3S/c1-14-4-5-15(2)18(10-14)26-21(28)17(13-23)11-16-6-7-20(19(12-16)27(29)30)31-22-24-8-3-9-25-22/h3-12H,1-2H3,(H,26,28)/b17-11+InChIKey
DMYCCGBIJYTNLS-GZTJUZNOSA-NSynonyms
(~(E))2cyano~(N)(25dimethylphenyl)3(3nitro4pyrimidin2ylsulfanylphenyl)prop2enamide
(2E)2cyanoN(25dimethylphenyl)3(3nitro4(pyrimidin2ylsulfanyl)phenyl)prop2enamide
1492370
InChI=1SC22H17N5O3Sc1144515(2)18(1014)2621(28)17(1323)11166720(19(1216)27(29)30)3122248392522h312H12H3(H2628)b1711+
MFCD31537919
ZINC000001408100
ZINC1408100
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