Vitas-M small molecule compound
2-methoxyethyl 4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372634
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-13-18(21(26)28-9-8-27-4)19(14-6-5-7-15(24)10-14)20-16(23-13)11-22(2,3)12-17(20)25/h5-7,10,19,23-24H,8-9,11-12H2,1-4H3InChIKey
UQDGMNCRJSJTLK-UHFFFAOYSA-NSynonyms
2methoxyethyl4(3hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(3hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)O)C(=O)OCCOC
InChI=1SC22H27NO5c11318(21(26)2898274)19(1465715(24)1014)2016(2313)1122(23)1217(20)25h5710192324H891112H214H3
MFCD00753363
ZINC000003094452
ZINC000101508858
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