Vitas-M small molecule compound
ethyl 4-{(4Z)-4-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Catalog ID
STK016348
SMILES C#CCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)OCC)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 C24H22N2O5 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5/c1-5-13-31-21-12-7-17(15-22(21)29-4)14-20-16(3)25-26(23(20)27)19-10-8-18(9-11-19)24(28)30-6-2/h1,7-12,14-15H,6,13H2,2-4H3/b20-14-InChIKey
QRCZXNQSUWPNAX-ZHZULCJRSA-NSynonyms
C#CCOc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OCC)C
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)C(=N2)C
ETHYL4((4Z)4((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOATE
ETHYL4((4Z)4(3METHOXY4(PROP2YN1YLOXY)BENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOATE
InChI=1SC24H22N2O5c1513312112717(1522(21)294)142016(3)2526(23(20)27)1910818(91119)24(28)3062h17121415H613H224H3b2014
MFCD02909420
STK016348
ZINC000004575843
ZINC04575843
ZINC4575843
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