Vitas-M small molecule compound

dimethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK777633
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1ccc3c(c1)OCO3)C(=C(N2)C)C(=O)OC)c1cccs1

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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 C25H23NO7S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO7S/c1-12-19(24(28)30-2)20(13-6-7-16-17(9-13)33-11-32-16)22-15(26-12)10-14(18-5-4-8-34-18)21(23(22)27)25(29)31-3/h4-9,14,20-21,26H,10-11H2,1-3H3
InChIKey
HIBTZXAZKZYBSE-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OC
dimethyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC25H23NO7Sc11219(24(28)302)20(13671617(913)33113216)2215(2612)1014(185483418)21(23(22)27)25(29)313h4914202126H1011H213H3
MFCD05854761
ZINC000019858553
ZINC000217634046

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Available files

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