Vitas-M small molecule compound
cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK421936
SMILES CCOc1cc(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 C26H32BrNO5 MW 518.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32BrNO5/c1-5-32-20-11-15(10-17(27)24(20)30)22-21(25(31)33-16-8-6-7-9-16)14(2)28-18-12-26(3,4)13-19(29)23(18)22/h10-11,16,22,28,30H,5-9,12-13H2,1-4H3InChIKey
BMSXFXKTOUAKSG-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCC4)C)Br)O
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H32BrNO5c1532201115(1017(27)24(20)30)2221(25(31)3316867916)14(2)28181226(34)1319(29)23(18)22h101116222830H591213H214H3
MFCD01306178
ZINC000006195735
ZINC000006195771
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