Vitas-M small molecule compound

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

Catalog ID
STK404974
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C27H29NO7 MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO7/c1-6-14(3)35-27(32)21-15(4)28-18-11-13(2)20(26(31)33-5)25(30)23(18)22(21)17-12-34-19-10-8-7-9-16(19)24(17)29/h7-10,12-14,20,22,28H,6,11H2,1-5H3
InChIKey
VCPCJKKYEPENLL-UHFFFAOYSA-N
Synonyms

3butan2yl6methyl27dimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl27dimethyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC27H29NO7c1614(3)3527(32)2115(4)28181113(2)20(26(31)335)25(30)23(18)22(21)171234191087916(19)24(17)29h7101214202228H611H215H3
MFCD05026931
ZINC000034688246
ZINC000229938858

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Available files

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