Vitas-M small molecule compound
6-methyl 3-propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404658
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC(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 C25H31NO7 MW 457.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO7/c1-7-32-18-11-15(8-9-17(18)27)21-20(25(30)33-12(2)3)14(5)26-16-10-13(4)19(24(29)31-6)23(28)22(16)21/h8-9,11-13,19,21,26-27H,7,10H2,1-6H3InChIKey
KFQROEKXKTVJNZ-UHFFFAOYSA-NSynonyms
6methyl3propan2yl4(3ethoxy4hydroxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl4(3ethoxy4hydroxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC(C)C)C)O
InChI=1SC25H31NO7c1732181115(8917(18)27)2120(25(30)3312(2)3)14(5)26161013(4)19(24(29)316)23(28)22(16)21h89111319212627H710H216H3
MFCD05031577
ZINC000004764094
ZINC000102558581
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