Vitas-M small molecule compound
4-chloro-2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl 3-methyl-4-nitrobenzoate
Catalog ID
STL287645
SMILES Clc1ccc(c(c1)NC1=NS(=O)(=O)c2c1cccc2)OC(=O)c1ccc(c(c1)C)[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 C21H14ClN3O6S MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O6S/c1-12-10-13(6-8-17(12)25(27)28)21(26)31-18-9-7-14(22)11-16(18)23-20-15-4-2-3-5-19(15)32(29,30)24-20/h2-11H,1H3,(H,23,24)InChIKey
FTQDVVMZTBHIBK-UHFFFAOYSA-NSynonyms
(4CHLORO2((11DIOXO12BENZOTHIAZOL3YL)AMINO)PHENYL)3METHYL4NITROBENZOATE
4chloro2((11dioxido12benzothiazol3yl)amino)phenyl3methyl4nitrobenzoate
CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)Cl)NC3=NS(=O)(=O)C4=CC=CC=C43)(N+)(=O)(O)
Clc1ccc(c(c1)NC1=NS(=O)(=O)c2c1cccc2)OC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC21H14ClN3O6Sc1121013(6817(12)25(27)28)21(26)31189714(22)1116(18)232015423519(15)32(2930)2420h211H1H3(H2324)
MFCD02111478
ZINC000003583322
ZINC3583322
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