Vitas-M small molecule compound
methyl (2Z)-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819510
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCC(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 C30H26N2O5 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5/c1-19(2)18-36-24-12-9-20(10-13-24)28-22(17-32(31-28)23-7-5-4-6-8-23)16-27-29(33)25-15-21(30(34)35-3)11-14-26(25)37-27/h4-17,19H,18H2,1-3H3/b27-16-InChIKey
CPKWIVDZFXVFKK-YUMHPJSZSA-NSynonyms
CC(C)COC1=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)OCC(C)C)c1ccccc1)O2
InChI=1SC30H26N2O5c119(2)18362412920(101324)2822(1732(3128)237546823)162729(33)251521(30(34)353)111426(25)3727h41719H18H213H3b2716
methyl(2Z)2((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(4(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644846
ZINC000016806125
ZINC16806125
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