Vitas-M small molecule compound
2-[benzyl(1,1-dioxido-1,2-benzothiazol-3-yl)amino]ethyl 3-methyl-4-nitrobenzoate
Catalog ID
STL287696
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])OCCN(C1=NS(=O)(=O)c2c1cccc2)Cc1ccccc1
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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/c1-17-15-19(11-12-21(17)27(29)30)24(28)33-14-13-26(16-18-7-3-2-4-8-18)23-20-9-5-6-10-22(20)34(31,32)25-23/h2-12,15H,13-14,16H2,1H3InChIKey
BVIAFBDCEQZWCV-UHFFFAOYSA-NSynonyms
2(benzyl(11dioxido12benzothiazol3yl)amino)ethyl3methyl4nitrobenzoate
2(BENZYL(11DIOXO12BENZOTHIAZOL3YL)AMINO)ETHYL3METHYL4NITROBENZOATE
CC1=C(C=CC(=C1)C(=O)OCCN(CC2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43)(N+)(=O)(O)
InChI=1SC24H21N3O6Sc1171519(111221(17)27(29)30)24(28)33141326(16187324818)23209561022(20)34(3132)2523h21215H131416H21H3
MFCD02111501
O=C(c1ccc(c(c1)C)(N+)(=O)(O))OCCN(C1=NS(=O)(=O)c2c1cccc2)Cc1ccccc1
ZINC000003583479
ZINC3583479
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