Vitas-M small molecule compound
cyclohexyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363324
SMILES CCOc1cc(cc(c1O)Br)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/c1-5-33-21-12-16(11-18(28)25(21)31)23-22(26(32)34-17-9-7-6-8-10-17)15(2)29-19-13-27(3,4)14-20(30)24(19)23/h11-12,17,23,29,31H,5-10,13-14H2,1-4H3InChIKey
ZFCRXQZAVCZOCI-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C)Br)O
cyclohexyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H34BrNO5c1533211216(1118(28)25(21)31)2322(26(32)341797681017)15(2)29191327(34)1420(30)24(19)23h111217232931H5101314H214H3
MFCD01367195
ZINC000004067339
ZINC000004067340
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