Vitas-M small molecule compound
ethyl 2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372267
SMILES CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC
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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 C24H31NO4 MW 397.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO4/c1-6-12-29-19-11-9-8-10-16(19)21-20(23(27)28-7-2)15(3)25-17-13-24(4,5)14-18(26)22(17)21/h8-11,21,25H,6-7,12-14H2,1-5H3InChIKey
NRYAXAONQQGPNQ-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C
ethyl277trimethyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
ethyl277trimethyl5oxo4(2propoxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC24H31NO4c1612291911981016(19)2120(23(27)2872)15(3)25171324(45)1418(26)22(17)21h8112125H671214H215H3
MFCD00717811
ZINC000004060449
ZINC000004060452
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