Vitas-M small molecule compound

cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK089404
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)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 C32H37NO5 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO5/c1-20-28(31(35)38-23-12-8-9-13-23)29(30-24(33-20)17-32(2,3)18-25(30)34)22-14-15-26(27(16-22)36-4)37-19-21-10-6-5-7-11-21/h5-7,10-11,14-16,23,29,33H,8-9,12-13,17-19H2,1-4H3
InChIKey
NBBMVMNUIQDVOB-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OC5CCCC5
COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl4(3methoxy4phenylmethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
cyclopentyl4(4(benzyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC32H37NO5c12028(31(35)382312891323)29(3024(3320)1732(23)1825(30)34)22141526(27(1622)364)371921106571121h5710111416232933H8912131719H214H3
MFCD00753162
STK089404
ZINC000003094407
ZINC000003094408

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Available files

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