Vitas-M small molecule compound
dimethyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK403363
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)C(C(C2)C)C(=O)OC
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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 C22H23NO7 MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO7/c1-10-7-13-19(20(24)16(10)21(25)27-3)18(17(11(2)23-13)22(26)28-4)12-5-6-14-15(8-12)30-9-29-14/h5-6,8,10,16,18,23H,7,9H2,1-4H3InChIKey
HPKNHOGSUNXFFK-UHFFFAOYSA-NSynonyms
1005108-32-61005108326
CC1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC4=C(C=C3)OCO4)C(=O)C1C(=O)OC
dimethyl4(13benzodioxol5yl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
dimethyl4(13benzodioxol5yl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC22H23NO7c11071319(20(24)16(10)21(25)273)18(17(11(2)2313)22(26)284)12561415(812)3092914h56810161823H79H214H3
MFCD03489183
ZINC000004148759
ZINC000004148764
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