Vitas-M small molecule compound
3-butan-2-yl 6-methyl 2,7-dimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404866
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)C(C(C2)C)C(=O)OC)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 C28H31NO7 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO7/c1-7-15(4)36-28(33)22-16(5)29-19-11-14(3)21(27(32)34-6)26(31)24(19)23(22)18-12-35-20-9-8-13(2)10-17(20)25(18)30/h8-10,12,14-15,21,23,29H,7,11H2,1-6H3InChIKey
NMLPLHKMNWPHFM-UHFFFAOYSA-NSynonyms
3butan2yl6methyl27dimethyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl27dimethyl4(6methyl4oxochromen3yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC28H31NO7c1715(4)3628(33)2216(5)29191114(3)21(27(32)346)26(31)24(19)23(22)181235209813(2)1017(20)25(18)30h810121415212329H711H216H3
MFCD05029201
ZINC000033792434
ZINC000229940945
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