Vitas-M small molecule compound
4-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 2-nitrobenzenesulfonate
Catalog ID
STK385537
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C(/C(=O)N)\C#N
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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 C18H15N3O7S MW 417.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O7S/c1-2-27-16-10-12(9-13(11-19)18(20)22)7-8-15(16)28-29(25,26)17-6-4-3-5-14(17)21(23)24/h3-10H,2H2,1H3,(H2,20,22)/b13-9+InChIKey
XIDVMJGGYMDFRR-UKTHLTGXSA-NSynonyms
(4((E)3AMINO2CYANO3OXOPROP1ENYL)2ETHOXYPHENYL)2NITROBENZENESULFONATE
4((1E)3AMINO2CYANO3OXOPROP1EN1YL)2ETHOXYPHENYL2NITROBENZENESULFONATE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OS(=O)(=O)C2=CC=CC=C2(N+)(=O)(O)
CCOc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C(C(=O)N)C#N
InChI=1SC18H15N3O7Sc1227161012(913(1119)18(20)22)7815(16)2829(2526)17643514(17)21(23)24h310H2H21H3(H22022)b139+
MFCD02602786
ZINC000002966225
ZINC02966225
ZINC2966225
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