Vitas-M small molecule compound
pentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK375643
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)(C)C
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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 C26H34BrNO5 MW 520.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34BrNO5/c1-6-8-9-10-33-25(31)21-15(3)28-18-13-26(4,5)14-19(29)23(18)22(21)16-11-17(27)24(30)20(12-16)32-7-2/h11-12,22,28,30H,6-10,13-14H2,1-5H3InChIKey
ZFTAAHUTCSAKMW-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CC(C2)(C)C)C
InChI=1SC26H34BrNO5c1689103325(31)2115(3)28181326(45)1419(29)23(18)22(21)161117(27)24(30)20(1216)3272h1112222830H6101314H215H3
MFCD01191829
pentyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000019848589
ZINC000019848591
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