Vitas-M small molecule compound
5-{(4Z)-4-[4-(benzyloxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Catalog ID
STK661985
SMILES COc1cc(ccc1OCc1ccccc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C26H21ClN2O5 MW 476.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5/c1-16-20(25(30)29(28-16)19-9-10-22(27)21(14-19)26(31)32)12-18-8-11-23(24(13-18)33-2)34-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,31,32)/b20-12-InChIKey
XBWJYBWQCRGWCO-NDENLUEZSA-NSynonyms
2CHLORO5((4Z)4((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
5((4Z)4(4(benzyloxy)3methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C4=CC(=C(C=C4)Cl)C(=O)O
COc1cc(ccc1OCc1ccccc1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
InChI=1SC26H21ClN2O5c11620(25(30)29(2816)1991022(27)21(1419)26(31)32)121881123(24(1318)332)3415176435717h314H15H212H3(H3132)b2012
MFCD01158559
ZINC000012412840
ZINC12412840
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