Vitas-M small molecule compound
cyclopentyl 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK006582
SMILES COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1)Br
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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(17-11-15(26)9-10-20(17)30-4)23-18(27-14)12-25(2,3)13-19(23)28/h9-11,16,22,27H,5-8,12-13H2,1-4H3InChIKey
OUAPUKIAMGRLMR-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)Br)OC)C(=O)OC4CCCC4
COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1)Br
cyclopentyl4(5bromo2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(5bromo2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H30BrNO4c11421(24(29)3116756816)22(171115(26)91020(17)304)2318(2714)1225(23)1319(23)28h911162227H581213H214H3
MFCD02633511
STK006582
ZINC000001220938
ZINC000001220939
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