Vitas-M small molecule compound
4-chloro-2-{[(4-methyl-2-nitrophenoxy)acetyl]amino}benzoic acid
Catalog ID
STK244335
SMILES O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccc(cc1[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 C16H13ClN2O6 MW 364.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O6/c1-9-2-5-14(13(6-9)19(23)24)25-8-15(20)18-12-7-10(17)3-4-11(12)16(21)22/h2-7H,8H2,1H3,(H,18,20)(H,21,22)InChIKey
BHDNTVRMAPOQDB-UHFFFAOYSA-NSynonyms
4chloro2(((4methyl2nitrophenoxy)acetyl)amino)benzoicacid
4chloro2((2(4methyl2nitrophenoxy)acetyl)amino)benzoicacid
CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)(N+)(=O)(O)
InChI=1SC16H13ClN2O6c192514(13(69)19(23)24)25815(20)1812710(17)3411(12)16(21)22h27H8H21H3(H1820)(H2122)
MFCD07113461
O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccc(cc1(N+)(=O)(O))C
ZINC000013843289
ZINC13843289
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