Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363606
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
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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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-15-21(24(28)31-14-16-8-7-11-30-16)22(17-9-5-6-10-20(17)29-4)23-18(26-15)12-25(2,3)13-19(23)27/h5-6,9-10,16,22,26H,7-8,11-14H2,1-4H3InChIKey
JHWHQHUQKBDARZ-UHFFFAOYSA-NSynonyms
330848-33-4330848334
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC)C(=O)OCC4CCCO4
InChI=1SC25H31NO5c11521(24(28)31141687113016)22(179561020(17)294)2318(2615)1225(23)1319(23)27h56910162226H781114H214H3
MFCD01445713
oxolan2ylmethyl4(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl4(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019770441
ZINC000019770444
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