Vitas-M small molecule compound
methyl (2Z)-2-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819751
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc3c(c1)OCCO3)c1ccccc1)/O2
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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 C28H20N2O6 MW 480.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O6/c1-33-28(32)18-8-9-22-21(13-18)27(31)25(36-22)15-19-16-30(20-5-3-2-4-6-20)29-26(19)17-7-10-23-24(14-17)35-12-11-34-23/h2-10,13-16H,11-12H2,1H3/b25-15-InChIKey
ZUZKGNFXPJPNAO-MYYYXRDXSA-NSynonyms
956705-60-5956705605
COC(=O)C1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)C2=O
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccc3c(c1)OCCO3)c1ccccc1)O2
InChI=1SC28H20N2O6c13328(32)18892221(1318)27(31)25(3622)15191630(205324620)2926(19)177102324(1417)3512113423h2101316H1112H21H3b2515
methyl(2Z)2((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
METHYL(2Z)2((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO1BENZOFURAN5CARBOXYLATE
MFCD04448603
ZINC000002705025
ZINC02705025
ZINC2705025
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