Vitas-M small molecule compound
methyl (2Z)-3-oxo-2-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK882328
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc(cc1)OC(C)C)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 C29H24N2O5 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5/c1-18(2)35-23-12-9-19(10-13-23)27-21(17-31(30-27)22-7-5-4-6-8-22)16-26-28(32)24-15-20(29(33)34-3)11-14-25(24)36-26/h4-18H,1-3H3/b26-16-InChIKey
QZZYPTUYXULBDF-QQXSKIMKSA-NSynonyms
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)O2
InChI=1SC29H24N2O5c118(2)352312919(101323)2721(1731(3027)227546822)162628(32)241520(29(33)343)111425(24)3626h418H13H3b2616
methyl(2Z)3oxo2((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)23dihydro1benzofuran5carboxylate
methyl(2Z)3oxo2((1phenyl3(4propan2yloxyphenyl)pyrazol4yl)methylidene)1benzofuran5carboxylate
MFCD06646119
ZINC000016742560
ZINC16742560
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