Vitas-M small molecule compound

2-(propan-2-yloxy)ethyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK087840
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C)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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-15(2)32-10-11-33-26(31)22-16(3)28-19-12-27(4,5)13-20(29)24(19)23(22)18-14-34-21-9-7-6-8-17(21)25(18)30/h6-9,14-15,23,28H,10-13H2,1-5H3
InChIKey
LSBKWPNBDMCFPA-UHFFFAOYSA-N
Synonyms

2(propan2yloxy)ethyl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
CC(OCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OCCOC(C)C
InChI=1SC27H31NO6c115(2)3210113326(31)2216(3)28191227(45)1320(29)24(19)23(22)18143421976817(21)25(18)30h6914152328H1013H215H3
MFCD01825215
STK087840
ZINC000002824954
ZINC000002824955

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Available files

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