Vitas-M small molecule compound
benzyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK364299
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)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 C27H26BrNO5 MW 524.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrNO5/c1-15-23(26(31)32-13-16-7-5-4-6-8-16)24(17-9-21-22(10-18(17)28)34-14-33-21)25-19(29-15)11-27(2,3)12-20(25)30/h4-10,24,29H,11-14H2,1-3H3InChIKey
KDRVENURFIEJQE-UHFFFAOYSA-NSynonyms
benzyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC5=CC=CC=C5
InChI=1SC27H26BrNO5c11523(26(31)3213167546816)24(1792122(1018(17)28)34143321)2519(2915)1127(23)1220(25)30h4102429H1114H213H3
MFCD00625116
ZINC000019228295
ZINC000019228297
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