Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl 3-methyl-4-nitrobenzoate
Catalog ID
STL287689
SMILES COc1ccccc1N(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 C24H21N3O7S MW 495.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7S/c1-16-15-17(11-12-19(16)27(29)30)24(28)34-14-13-26(20-8-4-5-9-21(20)33-2)23-18-7-3-6-10-22(18)35(31,32)25-23/h3-12,15H,13-14H2,1-2H3InChIKey
CHILATWSXCMIEL-UHFFFAOYSA-NSynonyms
2((11dioxido12benzothiazol3yl)(2methoxyphenyl)amino)ethyl3methyl4nitrobenzoate
2(N(11DIOXO12BENZOTHIAZOL3YL)2METHOXYANILINO)ETHYL3METHYL4NITROBENZOATE
CC1=C(C=CC(=C1)C(=O)OCCN(C2=CC=CC=C2OC)C3=NS(=O)(=O)C4=CC=CC=C43)(N+)(=O)(O)
COc1ccccc1N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC24H21N3O7Sc1161517(111219(16)27(29)30)24(28)34141326(20845921(20)332)23187361022(18)35(3132)2523h31215H1314H212H3
MFCD02111498
ZINC000003583452
ZINC3583452
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