Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 3-methyl-4-nitrobenzoate
Catalog ID
STL287694
SMILES Cc1cccc(c1)N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=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 C24H21N3O6S MW 479.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O6S/c1-16-6-5-7-19(14-16)26(23-20-8-3-4-9-22(20)34(31,32)25-23)12-13-33-24(28)18-10-11-21(27(29)30)17(2)15-18/h3-11,14-15H,12-13H2,1-2H3InChIKey
AAPXWMRORXMZGY-UHFFFAOYSA-NSynonyms
2((11dioxido12benzothiazol3yl)(3methylphenyl)amino)ethyl3methyl4nitrobenzoate
2(N(11DIOXO12BENZOTHIAZOL3YL)3METHYLANILINO)ETHYL3METHYL4NITROBENZOATE
CC1=CC(=CC=C1)N(CCOC(=O)C2=CC(=C(C=C2)(N+)(=O)(O))C)C3=NS(=O)(=O)C4=CC=CC=C43
Cc1cccc(c1)N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC24H21N3O6Sc11665719(1416)26(2320834922(20)34(3132)2523)12133324(28)18101121(27(29)30)17(2)1518h3111415H1213H212H3
MFCD02111500
ZINC000003583467
ZINC3583467
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