Vitas-M small molecule compound

3-butan-2-yl 6-methyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404987
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)O)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 C26H33NO8 MW 487.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO8/c1-8-13(3)35-26(31)20-14(4)27-16-9-12(2)19(25(30)34-7)24(29)22(16)21(20)15-10-17(32-5)23(28)18(11-15)33-6/h10-13,19,21,27-28H,8-9H2,1-7H3
InChIKey
NLTZKKWSLMIBDE-UHFFFAOYSA-N
Synonyms

3butan2yl6methyl4(4hydroxy35dimethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl4(4hydroxy35dimethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)OC)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC26H33NO8c1813(3)3526(31)2014(4)2716912(2)19(25(30)347)24(29)22(16)21(20)151017(325)23(28)18(1115)336h101319212728H89H217H3
MFCD05026933
ZINC000035898320
ZINC000229938198

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Available files

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