Vitas-M small molecule compound
methyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK040163
SMILES COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)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 C24H25NO5 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5/c1-12-6-7-18-14(8-12)22(27)15(11-30-18)20-19(23(28)29-5)13(2)25-16-9-24(3,4)10-17(26)21(16)20/h6-8,11,20,25H,9-10H2,1-5H3InChIKey
OAQKPGQFEZQLPO-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OC)C
COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)(C)C
InChI=1SC24H25NO5c112671814(812)22(27)15(113018)2019(23(28)295)13(2)2516924(34)1017(26)21(16)20h68112025H910H215H3
methyl277trimethyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(6methyl4oxochromen3yl)5oxo1468tetrahydroquinoline3carboxylate
MFCD01596347
STK040163
ZINC000000853903
ZINC000000853904
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