Vitas-M small molecule compound

cyclopentyl 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363224
SMILES COc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCC1

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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 C23H27NO4 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO4/c1-14-20(23(26)28-17-6-3-4-7-17)21(15-10-12-16(27-2)13-11-15)22-18(24-14)8-5-9-19(22)25/h10-13,17,21,24H,3-9H2,1-2H3
InChIKey
VAXDNBUBOMOOGK-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC)C(=O)OC4CCCC4
cyclopentyl4(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H27NO4c11420(23(26)2817634717)21(15101216(272)131115)2218(2414)85919(22)25h1013172124H39H212H3
MFCD00771161
ZINC000019731627
ZINC000019731629

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.