Vitas-M small molecule compound
benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363379
SMILES CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
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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 C26H26BrNO5 MW 512.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO5/c1-3-32-21-13-17(12-18(27)25(21)30)23-22(26(31)33-14-16-8-5-4-6-9-16)15(2)28-19-10-7-11-20(29)24(19)23/h4-6,8-9,12-13,23,28,30H,3,7,10-11,14H2,1-2H3InChIKey
OBNAWCDZVUUNLI-UHFFFAOYSA-NSynonyms
313244-53-0313244530
benzyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C)Br)O
InChI=1SC26H26BrNO5c1332211317(1218(27)25(21)30)2322(26(31)3314168546916)15(2)28191071120(29)24(19)23h46891213232830H37101114H212H3
MFCD01367222
ZINC000000844222
ZINC000000844223
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