Vitas-M small molecule compound
ethyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372269
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-7-29-18-10-9-15(11-19(18)28-6)21-20(23(27)30-8-2)14(3)25-16-12-24(4,5)13-17(26)22(16)21/h9-11,21,25H,7-8,12-13H2,1-6H3InChIKey
MENSXWIBVPEJIZ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)OC
ethyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC24H31NO5c17291810915(1119(18)286)2120(23(27)3082)14(3)25161224(45)1317(26)22(16)21h9112125H781213H216H3
MFCD00752970
ZINC000000726474
ZINC000000726476
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