Vitas-M small molecule compound
methyl 4-{3-chloro-4-[(2-cyanobenzyl)oxy]-5-ethoxyphenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Catalog ID
STL374266
SMILES CCOc1cc(cc(c1OCc1ccccc1C#N)Cl)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 C31H25ClN2O5 MW 541.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN2O5/c1-4-38-24-14-20(13-23(32)30(24)39-16-19-10-6-5-9-18(19)15-33)26-25(31(36)37-3)17(2)34-28-21-11-7-8-12-22(21)29(35)27(26)28/h5-14,26,34H,4,16H2,1-3H3InChIKey
KCYKNCLYLMQBJU-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(C4=CC=CC=C4C3=O)NC(=C2C(=O)OC)C)Cl)OCC5=CC=CC=C5C#N
InChI=1SC31H25ClN2O5c1438241420(1323(32)30(24)3916191065918(19)1533)2625(31(36)373)17(2)34282111781222(21)29(35)27(26)28h5142634H416H213H3
methyl4(3chloro4((2cyanobenzyl)oxy)5ethoxyphenyl)2methyl5oxo45dihydro1Hindeno(12b)pyridine3carboxylate
METHYL4(3CHLORO4((2CYANOPHENYL)METHOXY)5ETHOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(3CHLORO4((2CYANOPHENYL)METHOXY)5ETHOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(32B)PYRIDINE3CARBOXYLATE
MFCD02228812
ZINC000100215706
ZINC000100215709
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