Vitas-M small molecule compound
butyl 4-{5-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK382272
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccccc1)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 C26H24N2O4 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O4/c1-3-4-16-31-26(30)20-12-10-19(11-13-20)24-15-14-22(32-24)17-23-18(2)27-28(25(23)29)21-8-6-5-7-9-21/h5-15,17H,3-4,16H2,1-2H3/b23-17-InChIKey
AFTNTXWVUHNCCI-QJOMJCCJSA-NSynonyms
BUTYL4(5((3METHYL5OXO1PHENYL12DIAZOLIN4YLIDENE)METHYL)2FURYL)BENZOATE
butyl4(5((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
butyl4(5((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)furan2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC26H24N2O4c134163126(30)20121019(111320)24151422(3224)172318(2)2728(25(23)29)218657921h51517H3416H212H3b2317
MFCD02630503
ZINC000008722502
ZINC08722502
ZINC8722502
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