Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl 4-nitrobenzoate
Catalog ID
STL290988
SMILES COc1ccccc1N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(cc1)[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 C23H19N3O7S MW 481.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O7S/c1-32-20-8-4-3-7-19(20)25(22-18-6-2-5-9-21(18)34(30,31)24-22)14-15-33-23(27)16-10-12-17(13-11-16)26(28)29/h2-13H,14-15H2,1H3InChIKey
CARPELKGVQHSKC-UHFFFAOYSA-NSynonyms
2((11DIOXIDO12BENZISOTHIAZOL3YL)2METHOXYANILINO)ETHYL4NITROBENZOATE
2((11dioxido12benzothiazol3yl)(2methoxyphenyl)amino)ethyl4nitrobenzoate
2(N(11DIOXO12BENZOTHIAZOL3YL)2METHOXYANILINO)ETHYL4NITROBENZOATE
COC1=CC=CC=C1N(CCOC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=NS(=O)(=O)C4=CC=CC=C43
COc1ccccc1N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H19N3O7Sc13220843719(20)25(2218625921(18)34(3031)2422)14153323(27)16101217(131116)26(28)29h213H1415H21H3
MFCD02951128
ZINC000000666772
ZINC00666772
ZINC666772
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