Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK055292
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1)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 C26H27NO3 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3/c1-17-22(25(29)30-16-18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)24-20(27-17)14-26(2,3)15-21(24)28/h4-13,23,27H,14-16H2,1-3H3InChIKey
SAEQESXVHYPGSL-UHFFFAOYSA-NSynonyms
benzyl277trimethyl5oxo4phenyl145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4phenyl1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI=1SC26H27NO3c11722(25(29)301618106471118)23(19128591319)2420(2717)1426(23)1521(24)28h4132327H1416H213H3
MFCD00625113
O=C(C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)OCc1ccccc1
STK055292
ZINC000000628606
ZINC000000628611
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