Vitas-M small molecule compound
methyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407274
SMILES COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C23H23NO5 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5/c1-12-18(22(27)28-4)19(20-15(24-12)9-23(2,3)10-16(20)25)14-11-29-17-8-6-5-7-13(17)21(14)26/h5-8,11,19,24H,9-10H2,1-4H3InChIKey
QJKUARJAKPOZKK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OC
InChI=1SC23H23NO5c11218(22(27)284)19(2015(2412)923(23)1016(20)25)14112917865713(17)21(14)26h58111924H910H214H3
methyl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
methyl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
MFCD01605899
ZINC000019830928
ZINC000019830929
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