Vitas-M small molecule compound
methyl 4-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Catalog ID
STK077110
SMILES CCOc1cc(cc(c1OCc1ccccc1C#N)CC=C)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C(=O)OC
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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 C34H30N2O5 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O5/c1-5-11-21-16-24(17-27(40-6-2)33(21)41-19-23-13-8-7-12-22(23)18-35)29-28(34(38)39-4)20(3)36-31-25-14-9-10-15-26(25)32(37)30(29)31/h5,7-10,12-17,29,36H,1,6,11,19H2,2-4H3InChIKey
VQRMZKAGLCJQTF-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1OCC2=CC=CC=C2C#N)CC=C)C3C4=C(C5=CC=CC=C5C4=O)NC(=C3C(=O)OC)C
CCOc1cc(cc(c1OCc1ccccc1C#N)CC=C)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C(=O)OC
InChI=1SC34H30N2O5c1511211624(1727(4062)33(21)41192313871222(23)1835)2928(34(38)394)20(3)363125149101526(25)32(37)30(29)31h571012172936H161119H224H3
METHYL4(3ALLYL4((2CYANOBENZYL)OXY)5ETHOXYPHENYL)2METHYL5OXO45DIHYDRO1HINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(4((2CYANOBENZYL)OXY)3ETHOXY5(PROP2EN1YL)PHENYL)2METHYL5OXO45DIHYDRO1HINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(4((2CYANOPHENYL)METHOXY)3ETHOXY5PROP2ENYLPHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
MFCD02228831
STK077110
ZINC000100215805
ZINC000100215808
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Check stock on Vitas-MAvailable files
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