Vitas-M small molecule compound
propan-2-yl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK082417
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)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 C25H27NO5 MW 421.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5/c1-13(2)31-24(29)20-14(3)26-17-10-25(4,5)11-18(27)22(17)21(20)16-12-30-19-9-7-6-8-15(19)23(16)28/h6-9,12-13,21,26H,10-11H2,1-5H3InChIKey
XGKOGYWORGJOMD-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OC(C)C
InChI=1SC25H27NO5c113(2)3124(29)2014(3)26171025(45)1118(27)22(17)21(20)16123019976815(19)23(16)28h6912132126H1011H215H3
MFCD01824527
propan2yl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
propan2yl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
STK082417
ZINC000019720112
ZINC000019720113
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