Vitas-M small molecule compound
cyclohexyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363323
SMILES COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
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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/c1-15-23(26(31)34-16-9-7-6-8-10-16)24(17-11-21(32-4)22(33-5)12-18(17)28)25-19(29-15)13-27(2,3)14-20(25)30/h11-12,16,24,29H,6-10,13-14H2,1-5H3InChIKey
VLTCPGZEUVEOLZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3Br)OC)OC)C(=O)OC4CCCCC4
cyclohexyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H34BrNO5c11523(26(31)341697681016)24(171121(324)22(335)1218(17)28)2519(2915)1327(23)1420(25)30h1112162429H6101314H215H3
MFCD01367190
ZINC000002095268
ZINC000002095273
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