Vitas-M small molecule compound
propan-2-yl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402534
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)Cl)C(=O)CCC2)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 C23H22ClNO5 MW 427.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO5/c1-11(2)30-23(28)19-12(3)25-16-5-4-6-17(26)21(16)20(19)15-10-29-18-8-7-13(24)9-14(18)22(15)27/h7-11,20,25H,4-6H2,1-3H3InChIKey
ADMWRHDPTUOLJV-UHFFFAOYSA-NSynonyms
5885-20-15885201
CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OC(C)C
InChI=1SC23H22ClNO5c111(2)3023(28)1912(3)251654617(26)21(16)20(19)151029188713(24)914(18)22(15)27h7112025H46H213H3
MFCD01825222
propan2yl4(6chloro4oxo4Hchromen3yl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(6chloro4oxochromen3yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000000674939
ZINC000000674941
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