Vitas-M small molecule compound
2-[(2-chlorophenyl)(1,1-dioxido-1,2-benzothiazol-3-yl)amino]ethyl 3-nitrobenzoate
Catalog ID
STK132247
SMILES O=C(c1cccc(c1)[N+](=O)[O-])OCCN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1Cl
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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 C22H16ClN3O6S MW 485.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O6S/c23-18-9-2-3-10-19(18)25(21-17-8-1-4-11-20(17)33(30,31)24-21)12-13-32-22(27)15-6-5-7-16(14-15)26(28)29/h1-11,14H,12-13H2InChIKey
QJBMRNPWRHGUPO-UHFFFAOYSA-NSynonyms
2((2CHLOROPHENYL)(11DIOXIDO12BENZOTHIAZOL3YL)AMINO)ETHYL3NITROBENZOATE
2(2CHLORON(11DIOXO12BENZOTHIAZOL3YL)ANILINO)ETHYL3NITROBENZOATE
C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCOC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4Cl
InChI=1SC22H16ClN3O6Sc23189231019(18)25(21178141120(17)33(3031)2421)12133222(27)1565716(1415)26(28)29h11114H1213H2
MFCD04083600
O=C(c1cccc(c1)(N+)(=O)(O))OCCN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1Cl
ZINC000009850370
ZINC09850370
ZINC9850370
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