Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-({5-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STL168421
SMILES O=C(c1ccc2c(c1)OCO2)CSc1nnc([nH]1)N/N=C/c1cc(ccc1O)[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 C18H14N6O6S MW 442.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N6O6S/c25-13-3-2-12(24(27)28)5-11(13)7-19-21-17-20-18(23-22-17)31-8-14(26)10-1-4-15-16(6-10)30-9-29-15/h1-7,25H,8-9H2,(H2,20,21,22,23)/b19-7+InChIKey
LWVYITPYRWXEQE-FBCYGCLPSA-NSynonyms
724747-60-81(13benzodioxol5yl)2((5((2E)2(2hydroxy5nitrobenzylidene)hydrazinyl)4H124triazol3yl)sulfanyl)ethanone
724747608
MFCD03346905
O=C(c1ccc2c(c1)OCO2)CSc1nnc((nH)1)NN=Cc1cc(ccc1O)(N+)(=O)(O)
ZINC000020493876
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