Vitas-M small molecule compound
N-[4-hydroxy-5-methyl-3-(phenylsulfonyl)-2-(propan-2-yl)phenyl]-3-nitrobenzamide
Catalog ID
STK741071
SMILES CC(c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])cc(c(c1S(=O)(=O)c1ccccc1)O)C)C
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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 C23H22N2O6S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S/c1-14(2)20-19(24-23(27)16-8-7-9-17(13-16)25(28)29)12-15(3)21(26)22(20)32(30,31)18-10-5-4-6-11-18/h4-14,26H,1-3H3,(H,24,27)InChIKey
SKDLEURRFWFESY-UHFFFAOYSA-NSynonyms
CC(c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))cc(c(c1S(=O)(=O)c1ccccc1)O)C)C
CC1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=CC=C2)C(C)C)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC23H22N2O6Sc114(2)2019(2423(27)1687917(1316)25(28)29)1215(3)21(26)22(20)32(3031)18105461118h41426H13H3(H2427)
MFCD03408678
N(3(BENZENESULFONYL)4HYDROXY5METHYL2PROPAN2YLPHENYL)3NITROBENZAMIDE
N(4HYDROXY5METHYL2(1METHYLETHYL)3(PHENYLSULFONYL)PHENYL)3NITROBENZAMIDE
N(4hydroxy5methyl3(phenylsulfonyl)2(propan2yl)phenyl)3nitrobenzamide
ZINC000003620702
ZINC03620702
ZINC3620702
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