Vitas-M small molecule compound

2-[(1-phenyl-1H-tetrazol-5-yl)methyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Catalog ID
STK855703
SMILES O=C1c2ccccc2S(=O)(=O)N1Cc1nnnn1c1ccccc1

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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 C15H11N5O3S MW 341.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N5O3S/c21-15-12-8-4-5-9-13(12)24(22,23)19(15)10-14-16-17-18-20(14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
JWKZSNXZSWYSBL-UHFFFAOYSA-N
Synonyms
898653-12-8
11DIOXO2((1PHENYLTETRAZOL5YL)METHYL)12BENZOTHIAZOL3ONE
2((1phenyl1Htetrazol5yl)methyl)12benzothiazol3(2H)one11dioxide
2((1phenyl1Htetrazol5yl)methyl)benzo(d)isothiazol3(2H)one11dioxide
898653128
C1=CC=C(C=C1)N2C(=NN=N2)CN3C(=O)C4=CC=CC=C4S3(=O)=O
InChI=1SC15H11N5O3Sc211512845913(12)24(2223)19(15)101416171820(14)116213711h19H10H2
MFCD08292930
ZINC000006764376
ZINC06764376
ZINC6764376

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Available files

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