Vitas-M small molecule compound
propyl 4-[2-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK011453
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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 C29H33NO4 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO4/c1-5-15-33-28(32)25-19(2)30-22-16-29(3,4)17-23(31)27(22)26(25)21-13-9-10-14-24(21)34-18-20-11-7-6-8-12-20/h6-14,26,30H,5,15-18H2,1-4H3InChIKey
GXKYHKABRHGUNQ-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)C
InChI=1SC29H33NO4c15153328(32)2519(2)30221629(34)1723(31)27(22)26(25)21139101424(21)341820117681220h6142630H51518H214H3
MFCD00770906
propyl277trimethyl5oxo4(2phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
propyl4(2(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
STK011453
ZINC000002776196
ZINC000002776197
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