Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819514
SMILES COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])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 C27H19N3O7 MW 497.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O7/c1-35-23-11-8-16(13-21(23)30(33)34)25-18(15-29(28-25)19-6-4-3-5-7-19)14-24-26(31)20-12-17(27(32)36-2)9-10-22(20)37-24/h3-15H,1-2H3/b24-14-InChIKey
HPKJVVPQJILWKO-OYKKKHCWSA-NSynonyms
956193-75-2956193752
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cn(nc1c1ccc(c(c1)(N+)(=O)(O))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)(N+)(=O)(O)
InChI=1SC27H19N3O7c1352311816(1321(23)30(33)34)2518(1529(2825)196435719)142426(31)201217(27(32)362)91022(20)3724h315H12H3b2414
methyl(2Z)2((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro1benzofuran5carboxylate
METHYL(2Z)2((3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO1BENZOFURAN5CARBOXYLATE
MFCD04448455
ZINC000002704832
ZINC02704832
ZINC2704832
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