Vitas-M small molecule compound

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

Catalog ID
STK371842
SMILES COc1ccc(cc1Br)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 C25H30BrNO4 MW 488.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30BrNO4/c1-14-21(24(29)31-16-7-5-6-8-16)22(15-9-10-20(30-4)17(26)11-15)23-18(27-14)12-25(2,3)13-19(23)28/h9-11,16,22,27H,5-8,12-13H2,1-4H3
InChIKey
LDFPTMMYIKYQCQ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC4CCCC4
cyclopentyl4(3bromo4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H30BrNO4c11421(24(29)3116756816)22(1591020(304)17(26)1115)2318(2714)1225(23)1319(23)28h911162227H581213H214H3
MFCD00619527
ZINC000019315110
ZINC000019315113

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Available files

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