Vitas-M small molecule compound
(2Z)-5,6-dimethoxy-2-[4-(1H-pyrazol-1-yl)benzylidene]-2,3-dihydro-1H-inden-1-one
Catalog ID
STL314772
SMILES COc1cc2c(cc1OC)C/C(=C/c1ccc(cc1)n1cccn1)/C2=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 C21H18N2O3 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3/c1-25-19-12-15-11-16(21(24)18(15)13-20(19)26-2)10-14-4-6-17(7-5-14)23-9-3-8-22-23/h3-10,12-13H,11H2,1-2H3/b16-10-InChIKey
ZBXYOJROOJSNCN-YBEGLDIGSA-NSynonyms
1436016-07-7(2Z)56dimethoxy2((4pyrazol1ylphenyl)methylidene)3Hinden1one
(2Z)56dimethoxy2(4(1Hpyrazol1yl)benzylidene)23dihydro1Hinden1one
(Z)2(4(1Hpyrazol1yl)benzylidene)56dimethoxy23dihydro1Hinden1one
1436016077
COC1=C(C=C2C(=C1)CC(=CC3=CC=C(C=C3)N4C=CC=N4)C2=O)OC
COc1cc2c(cc1OC)CC(=Cc1ccc(cc1)n1cccn1)C2=O
InChI=1SC21H18N2O3c1251912151116(21(24)18(15)1320(19)262)10144617(7514)239382223h3101213H11H212H3b1610
MFCD23138336
ZINC000095476564
ZINC95476564
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