Vitas-M small molecule compound
ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372564
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-6-28-18-10-14(8-9-16(18)25)20-19(22(27)29-7-2)13(3)24-15-11-23(4,5)12-17(26)21(15)20/h8-10,20,24-25H,6-7,11-12H2,1-5H3InChIKey
PHPVVCJGVMNYFO-UHFFFAOYSA-NSynonyms
299947-43-6299947436
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)O
ethyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC23H29NO5c1628181014(8916(18)25)2019(22(27)2972)13(3)24151123(45)1217(26)21(15)20h810202425H671112H215H3
MFCD00711716
ZINC000100506308
ZINC000100506309
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