Vitas-M small molecule compound
2-[1-(1,1-dioxido-1,2-benzothiazol-3-yl)piperidin-2-yl]ethyl 3-methyl-4-nitrobenzoate
Catalog ID
STL287674
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])OCCC1CCCCN1C1=NS(=O)(=O)c2c1cccc2
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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 C22H23N3O6S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6S/c1-15-14-16(9-10-19(15)25(27)28)22(26)31-13-11-17-6-4-5-12-24(17)21-18-7-2-3-8-20(18)32(29,30)23-21/h2-3,7-10,14,17H,4-6,11-13H2,1H3InChIKey
OZEOXSLYMDLCBD-UHFFFAOYSA-NSynonyms
6816-78-02(1(11dioxido12benzothiazol3yl)piperidin2yl)ethyl3methyl4nitrobenzoate
2(1(11DIOXO12BENZOTHIAZOL3YL)PIPERIDIN2YL)ETHYL3METHYL4NITROBENZOATE
6816780
CC1=C(C=CC(=C1)C(=O)OCCC2CCCCN2C3=NS(=O)(=O)C4=CC=CC=C43)(N+)(=O)(O)
InChI=1SC22H23N3O6Sc1151416(91019(15)25(27)28)22(26)311311176451224(17)2118723820(18)32(2930)2321h237101417H461113H21H3
MFCD02111493
O=C(c1ccc(c(c1)C)(N+)(=O)(O))OCCC1CCCCN1C1=NS(=O)(=O)c2c1cccc2
ZINC000003583405
ZINC000003583409
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