Vitas-M small molecule compound
4-{(Z)-[1-(3,4-dimethylphenyl)-3-hydroxy-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl benzoate
Catalog ID
STL509136
SMILES COc1cc(ccc1OC(=O)c1ccccc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)O
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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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-16-9-11-20(13-17(16)2)28-25(30)21(24(29)27-28)14-18-10-12-22(23(15-18)32-3)33-26(31)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,27,29)/b21-14-InChIKey
JGNFLSPIIMNAGC-STZFKDTASA-NSynonyms
(4((~(Z))(1(34dimethylphenyl)35dioxopyrazolidin4ylidene)methyl)2methoxyphenyl)benzoate
39345920
4((Z)(1(34dimethylphenyl)3hydroxy5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenylbenzoate
InChI=1SC26H22N2O5c11691120(1317(16)2)2825(30)21(24(29)2728)1418101222(23(1518)323)3326(31)197546819h415H13H3(H2729)b2114
MFCD31657800
ZINC000032099544
ZINC32099544
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