Vitas-M small molecule compound
cyclohexyl 4-(3-bromo-2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372337
SMILES COc1cc(Br)c(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1)OC
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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 C27H34BrNO5 MW 532.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34BrNO5/c1-15-22(26(31)34-16-9-7-6-8-10-16)23(18-11-17(32-4)12-19(28)25(18)33-5)24-20(29-15)13-27(2,3)14-21(24)30/h11-12,16,23,29H,6-10,13-14H2,1-5H3InChIKey
MCGSYAHIKRKUBB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC(=C3OC)Br)OC)C(=O)OC4CCCCC4
cyclohexyl4(3bromo25dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo25dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H34BrNO5c11522(26(31)341697681016)23(181117(324)1219(28)25(18)335)2420(2915)1327(23)1421(24)30h1112162329H6101314H215H3
MFCD00717825
ZINC000003073692
ZINC000003073693
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