Vitas-M small molecule compound
3-(2-methoxyethyl) 6-methyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404868
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)C(C(C2)C)C(=O)OC
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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 C25H31NO8 MW 473.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO8/c1-6-33-18-12-15(7-8-17(18)27)21-20(25(30)34-10-9-31-4)14(3)26-16-11-13(2)19(24(29)32-5)23(28)22(16)21/h7-8,12-13,19,21,26-27H,6,9-11H2,1-5H3InChIKey
CTBVQIHJBOGZKB-UHFFFAOYSA-NSynonyms
3(2methoxyethyl)6methyl4(3ethoxy4hydroxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2methoxyethyl)6Omethyl4(3ethoxy4hydroxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCOC)C)O
InChI=1SC25H31NO8c1633181215(7817(18)27)2120(25(30)34109314)14(3)26161113(2)19(24(29)325)23(28)22(16)21h78121319212627H6911H215H3
MFCD06194025
ZINC000004766772
ZINC000102559316
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