Vitas-M small molecule compound
2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-4,5-dimethoxybenzoic acid
Catalog ID
STK069713
SMILES COc1cc(C(=O)O)c(cc1OC)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C16H13ClN2O7 MW 380.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O7/c1-25-13-6-9(16(21)22)11(7-14(13)26-2)18-15(20)8-3-4-10(17)12(5-8)19(23)24/h3-7H,1-2H3,(H,18,20)(H,21,22)InChIKey
NJIDYCNKATVJHY-UHFFFAOYSA-NSynonyms
2(((4CHLORO3NITROPHENYL)CARBONYL)AMINO)45DIMETHOXYBENZOICACID
2((4CHLORO3NITROBENZOYL)AMINO)45DIMETHOXYBENZOICACID
COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))OC
COc1cc(C(=O)O)c(cc1OC)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC16H13ClN2O7c1251369(16(21)22)11(714(13)262)1815(20)83410(17)12(58)19(23)24h37H12H3(H1820)(H2122)
MFCD02031674
STK069713
ZINC000001072053
ZINC1072053
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