Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-methoxybenzyl)-4-nitrobenzamide
Catalog ID
STK516028
SMILES COc1cccc(c1)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])C1CCS(=O)(=O)C1
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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 C19H20N2O6S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6S/c1-27-18-4-2-3-14(11-18)12-20(17-9-10-28(25,26)13-17)19(22)15-5-7-16(8-6-15)21(23)24/h2-8,11,17H,9-10,12-13H2,1H3InChIKey
AOFFKEBYYJFTTO-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cccc(c1)CN(C(=O)c1ccc(cc1)(N+)(=O)(O))C1CCS(=O)(=O)C1
InChI=1SC19H20N2O6Sc1271842314(1118)1220(1791028(2526)1317)19(22)155716(8615)21(23)24h281117H9101213H21H3
MFCD06645482
N(11dioxidotetrahydrothiophen3yl)N(3methoxybenzyl)4nitrobenzamide
N(11dioxothiolan3yl)N((3methoxyphenyl)methyl)4nitrobenzamide
ZINC000015952835
ZINC000015952836
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