Vitas-M small molecule compound
2-methoxy-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate
Catalog ID
STK027645
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=N/n1cnnc1
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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 C16H13N5O6S MW 403.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O6S/c1-26-15-8-12(9-19-20-10-17-18-11-20)6-7-14(15)27-28(24,25)16-5-3-2-4-13(16)21(22)23/h2-11H,1H3/b19-9+InChIKey
DSOZPAMPOBELIN-DJKKODMXSA-NSynonyms
(2METHOXY4((E)124TRIAZOL4YLIMINOMETHYL)PHENYL)2NITROBENZENESULFONATE
2METHOXY4((4H124TRIAZOL4YLIMINO)METHYL)PHENYL2NITROBENZENESULFONATE
2METHOXY4((E)(4H124TRIAZOL4YLIMINO)METHYL)PHENYL2NITROBENZENESULFONATE
COC1=C(C=CC(=C1)C=NN2C=NN=C2)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
COc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=Nn1cnnc1
InChI=1SC16H13N5O6Sc12615812(919201017181120)6714(15)2728(2425)16532413(16)21(22)23h211H1H3b199+
MFCD02220308
STK027645
ZINC000002966390
ZINC33397001
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