Vitas-M small molecule compound
methyl 2-methyl-3-{[(4-methyl-3-nitrophenyl)sulfonyl]amino}benzoate
Catalog ID
STL254657
SMILES COC(=O)c1cccc(c1C)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])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 C16H16N2O6S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6S/c1-10-7-8-12(9-15(10)18(20)21)25(22,23)17-14-6-4-5-13(11(14)2)16(19)24-3/h4-9,17H,1-3H3InChIKey
WGMYNIRRKXOJCE-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2C)C(=O)OC)(N+)(=O)(O)
COC(=O)c1cccc(c1C)NS(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC16H16N2O6Sc1107812(915(10)18(20)21)25(2223)171464513(11(14)2)16(19)243h4917H13H3
methyl2methyl3(((4methyl3nitrophenyl)sulfonyl)amino)benzoate
METHYL2METHYL3((4METHYL3NITROPHENYL)SULFONYLAMINO)BENZOATE
MFCD04215683
ZINC000005000154
ZINC05000154
ZINC5000154
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