Vitas-M small molecule compound
methyl (2Z)-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819773
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc3c(c1)CC(O3)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 C29H22N2O5 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O5/c1-17-12-20-13-18(8-10-24(20)35-17)27-21(16-31(30-27)22-6-4-3-5-7-22)15-26-28(32)23-14-19(29(33)34-2)9-11-25(23)36-26/h3-11,13-17H,12H2,1-2H3/b26-15-InChIKey
PAJJVJNBGSYVCX-YSMPRRRNSA-NSynonyms
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)C5=C(O4)C=CC(=C5)C(=O)OC)C6=CC=CC=C6
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccc3c(c1)CC(O3)C)c1ccccc1)O2
InChI=1SC29H22N2O5c11712201318(81024(20)3517)2721(1631(3027)226435722)152628(32)231419(29(33)342)91125(23)3626h3111317H12H212H3b2615
methyl(2Z)2((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
methyl(2Z)2((3(2methyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)methylidene)3oxo1benzofuran5carboxylate
MFCD06644868
ZINC000016741297
ZINC000016741298
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