Vitas-M small molecule compound
(2Z)-5,6-dimethoxy-2-{4-[2-(1H-pyrazol-1-yl)ethoxy]benzylidene}-2,3-dihydro-1H-inden-1-one
Catalog ID
STL315815
SMILES COc1cc2c(cc1OC)C/C(=C/c1ccc(cc1)OCCn1cccn1)/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 C23H22N2O4 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4/c1-27-21-14-17-13-18(23(26)20(17)15-22(21)28-2)12-16-4-6-19(7-5-16)29-11-10-25-9-3-8-24-25/h3-9,12,14-15H,10-11,13H2,1-2H3/b18-12-InChIKey
ROOHXABMCYSYTC-PDGQHHTCSA-NSynonyms
1436015-55-2(2Z)56dimethoxy2((4(2pyrazol1ylethoxy)phenyl)methylidene)3Hinden1one
(2Z)56dimethoxy2(4(2(1Hpyrazol1yl)ethoxy)benzylidene)23dihydro1Hinden1one
(Z)2(4(2(1Hpyrazol1yl)ethoxy)benzylidene)56dimethoxy23dihydro1Hinden1one
1436015552
COC1=C(C=C2C(=C1)CC(=CC3=CC=C(C=C3)OCCN4C=CC=N4)C2=O)OC
COc1cc2c(cc1OC)CC(=Cc1ccc(cc1)OCCn1cccn1)C2=O
InChI=1SC23H22N2O4c1272114171318(23(26)20(17)1522(21)282)12164619(7516)291110259382425h39121415H101113H212H3b1812
MFCD23139527
ZINC000095477312
ZINC95477312
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