Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]ethyl 3-methyl-4-nitrobenzoate
Catalog ID
STL287699
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])OCCN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1
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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 C23H19N3O6S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O6S/c1-16-15-17(11-12-20(16)26(28)29)23(27)32-14-13-25(18-7-3-2-4-8-18)22-19-9-5-6-10-21(19)33(30,31)24-22/h2-12,15H,13-14H2,1H3InChIKey
KMSAWRWMLSVRGN-UHFFFAOYSA-NSynonyms
2((11dioxido12benzothiazol3yl)(phenyl)amino)ethyl3methyl4nitrobenzoate
2(N(11DIOXO12BENZOTHIAZOL3YL)ANILINO)ETHYL3METHYL4NITROBENZOATE
CC1=C(C=CC(=C1)C(=O)OCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43)(N+)(=O)(O)
InChI=1SC23H19N3O6Sc1161517(111220(16)26(28)29)23(27)32141325(187324818)22199561021(19)33(3031)2422h21215H1314H21H3
MFCD02111503
O=C(c1ccc(c(c1)C)(N+)(=O)(O))OCCN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1
ZINC000003583488
ZINC3583488
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