Vitas-M small molecule compound

methyl (2Z)-2-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

Catalog ID
STK819520
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc(c(c1)OC)OC)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 C28H22N2O6 MW 482.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O6/c1-33-23-12-9-17(14-24(23)34-2)26-19(16-30(29-26)20-7-5-4-6-8-20)15-25-27(31)21-13-18(28(32)35-3)10-11-22(21)36-25/h4-16H,1-3H3/b25-15-
InChIKey
DZIPTRUKSBNGDO-MYYYXRDXSA-N
Synonyms

COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccc(c(c1)OC)OC)c1ccccc1)O2
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)OC
InChI=1SC28H22N2O6c1332312917(1424(23)342)2619(1630(2926)207546820)152527(31)211318(28(32)353)101122(21)3625h416H13H3b2515
methyl(2Z)2((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD04448460
ZINC000016741245
ZINC16741245

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Available files

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