Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819768
SMILES COc1ccc(c(c1)C)c1nn(cc1/C=C/1\Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
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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 C28H22N2O5 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5/c1-17-13-21(33-2)10-11-22(17)26-19(16-30(29-26)20-7-5-4-6-8-20)15-25-27(31)23-14-18(28(32)34-3)9-12-24(23)35-25/h4-16H,1-3H3/b25-15-InChIKey
GWPGLTWHFBPZPZ-MYYYXRDXSA-NSynonyms
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5
COc1ccc(c(c1)C)c1nn(cc1C=C1Oc2c(C1=O)cc(cc2)C(=O)OC)c1ccccc1
InChI=1SC28H22N2O5c1171321(332)101122(17)2619(1630(2926)207546820)152527(31)231418(28(32)343)91224(23)3525h416H13H3b2515
methyl(2Z)2((3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(4methoxy2methylphenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644866
ZINC000016741295
ZINC16741295
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