Vitas-M small molecule compound
4-[(E)-2-cyano-2-{(5Z)-5-[(phenylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethenyl]-2-methoxyphenyl 2-nitrobenzenesulfonate
Catalog ID
STL051283
SMILES N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccccc1[N+](=O)[O-])/c1n[nH]/c(=N/C(=O)c2ccccc2)/s1
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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 C25H17N5O7S2 MW 563.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N5O7S2/c1-36-21-14-16(11-12-20(21)37-39(34,35)22-10-6-5-9-19(22)30(32)33)13-18(15-26)24-28-29-25(38-24)27-23(31)17-7-3-2-4-8-17/h2-14H,1H3,(H,27,29,31)/b18-13+InChIKey
JRJPSLKRDDGFRI-QGOAFFKASA-NSynonyms
MFCD05735777
N#CC(=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccccc1(N+)(=O)(O))c1n(nH)c(=NC(=O)c2ccccc2)s1
ZINC000100314924
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