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

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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-N
Synonyms

(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

Check stock

See real-time availability and sample size for STK027645 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.