Vitas-M small molecule compound

N-[4-hydroxy-2-methyl-3-(phenylsulfonyl)-5-(propan-2-yl)phenyl]-3-nitrobenzamide

Catalog ID
STK741070
SMILES CC(c1cc(NC(=O)c2cccc(c2)[N+](=O)[O-])c(c(c1O)S(=O)(=O)c1ccccc1)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)19-13-20(24-23(27)16-8-7-9-17(12-16)25(28)29)15(3)22(21(19)26)32(30,31)18-10-5-4-6-11-18/h4-14,26H,1-3H3,(H,24,27)
InChIKey
OBTZESGEMLGIPD-UHFFFAOYSA-N
Synonyms

CC(c1cc(NC(=O)c2cccc(c2)(N+)(=O)(O))c(c(c1O)S(=O)(=O)c1ccccc1)C)C
CC1=C(C=C(C(=C1S(=O)(=O)C2=CC=CC=C2)O)C(C)C)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC23H22N2O6Sc114(2)191320(2423(27)1687917(1216)25(28)29)15(3)22(21(19)26)32(3031)18105461118h41426H13H3(H2427)
MFCD03408677
N(3(BENZENESULFONYL)4HYDROXY2METHYL5PROPAN2YLPHENYL)3NITROBENZAMIDE
N(4hydroxy2methyl3(phenylsulfonyl)5(propan2yl)phenyl)3nitrobenzamide
ZINC000003620697
ZINC03620697
ZINC3620697

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Available files

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