Vitas-M small molecule compound
benzyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371109
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)(C)C)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 C26H26BrNO3 MW 480.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO3/c1-16-22(25(30)31-15-17-9-5-4-6-10-17)23(18-11-7-8-12-19(18)27)24-20(28-16)13-26(2,3)14-21(24)29/h4-12,23,28H,13-15H2,1-3H3InChIKey
OMDJIMSNJQGPTK-UHFFFAOYSA-NSynonyms
benzyl4(2bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(2bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Br)C(=O)OCC4=CC=CC=C4
InChI=1SC26H26BrNO3c11622(25(30)31151795461017)23(1811781219(18)27)2420(2816)1326(23)1421(24)29h4122328H1315H213H3
MFCD00325676
ZINC000019314734
ZINC000019314736
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