Vitas-M small molecule compound
cyclopentyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK020875
SMILES COc1cc(cc(c1O)Br)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 C25H30BrNO5 MW 504.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30BrNO5/c1-13-20(24(30)32-15-7-5-6-8-15)21(14-9-16(26)23(29)19(10-14)31-4)22-17(27-13)11-25(2,3)12-18(22)28/h9-10,15,21,27,29H,5-8,11-12H2,1-4H3InChIKey
HXKURAVERIWKLH-UHFFFAOYSA-NSynonyms
299450-85-4299450854
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC4CCCC4
COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H30BrNO5c11320(24(30)3215756815)21(14916(26)23(29)19(1014)314)2217(2713)1125(23)1218(22)28h91015212729H581112H214H3
MFCD00753298
STK020875
ZINC000000626669
ZINC000000626673
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