Vitas-M small molecule compound

methyl 4-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate

Catalog ID
STL374214
SMILES COc1cc(ccc1OCc1ccccc1C#N)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 C30H24N2O5 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O5/c1-17-25(30(34)36-3)26(27-28(32-17)21-10-6-7-11-22(21)29(27)33)18-12-13-23(24(14-18)35-2)37-16-20-9-5-4-8-19(20)15-31/h4-14,26,32H,16H2,1-3H3
InChIKey
ZZXDSQXECUNZKJ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5C#N)OC)C(=O)OC
InChI=1SC30H24N2O5c11725(30(34)363)26(2728(3217)2110671122(21)29(27)33)18121323(24(1418)352)371620954819(20)1531h4142632H16H213H3
methyl4(4((2cyanobenzyl)oxy)3methoxyphenyl)2methyl5oxo45dihydro1Hindeno(12b)pyridine3carboxylate
METHYL4(4((2CYANOPHENYL)METHOXY)3METHOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
MFCD02228767
ZINC000000797798
ZINC000019804516

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Available files

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