Vitas-M small molecule compound
3-[(4Z)-4-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL431359
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-3-34-25-14-19(9-12-24(25)35-16-18-7-10-21(28)11-8-18)13-23-17(2)29-30(26(23)31)22-6-4-5-20(15-22)27(32)33/h4-15H,3,16H2,1-2H3,(H,32,33)/b23-13-InChIKey
RNBPRZLXAKEVMD-QRVIBDJDSA-NSynonyms
3((4Z)4((4((4chlorophenyl)methoxy)3ethoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
3((4Z)4(4((4chlorobenzyl)oxy)3ethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OCC4=CC=C(C=C4)Cl
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
InChI=1SC27H23ClN2O5c1334251419(91224(25)35161871021(28)11818)132317(2)2930(26(23)31)2264520(1522)27(32)33h415H316H212H3(H3233)b2313
MFCD05129701
ZINC000032099611
ZINC32099611
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