Vitas-M small molecule compound
prop-2-en-1-yl 2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372621
SMILES CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC=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 C25H31NO4 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4/c1-6-12-29-20-11-9-8-10-17(20)22-21(24(28)30-13-7-2)16(3)26-18-14-25(4,5)15-19(27)23(18)22/h7-11,22,26H,2,6,12-15H2,1,3-5H3InChIKey
NAVJFZFNQLZZGA-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC=C)C
InChI=1SC25H31NO4c1612292011981017(20)2221(24(28)301372)16(3)26181425(45)1519(27)23(18)22h7112226H261215H2135H3
MFCD00717982
prop2en1yl277trimethyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
prop2enyl277trimethyl5oxo4(2propoxyphenyl)1468tetrahydroquinoline3carboxylate
ZINC000004066546
ZINC000004066548
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