Vitas-M small molecule compound
methyl 4-{3-bromo-4-[(2-cyanobenzyl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Catalog ID
STK027094
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OCc1ccccc1C#N)C(=O)c1c2cccc1
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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 C29H21BrN2O4 MW 541.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21BrN2O4/c1-16-24(29(34)35-2)25(26-27(32-16)20-9-5-6-10-21(20)28(26)33)17-11-12-23(22(30)13-17)36-15-19-8-4-3-7-18(19)14-31/h3-13,25,32H,15H2,1-2H3InChIKey
FOLRIWCXUJQRHV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5C#N)Br)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OCc1ccccc1C#N)C(=O)c1c2cccc1
InChI=1SC29H21BrN2O4c11624(29(34)352)25(2627(3216)209561021(20)28(26)33)17111223(22(30)1317)361519843718(19)1431h3132532H15H212H3
METHYL4(3BROMO4((2CYANOBENZYL)OXY)PHENYL)2METHYL5OXO45DIHYDRO1HINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(3BROMO4((2CYANOPHENYL)METHOXY)PHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(3BROMO4((2CYANOPHENYL)METHOXY)PHENYL)2METHYL5OXO14DIHYDROINDENO(32B)PYRIDINE3CARBOXYLATE
MFCD02228800
STK027094
ZINC000100215620
ZINC000100215623
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Check stock on Vitas-MAvailable files
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