Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK011206
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CCC2)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 C28H29NO5 MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO5/c1-18-25(28(31)33-17-22-12-7-15-32-22)26(27-23(29-18)13-6-14-24(27)30)19-8-5-11-21(16-19)34-20-9-3-2-4-10-20/h2-5,8-11,16,22,26,29H,6-7,12-15,17H2,1H3InChIKey
UOYYLPOGQYNCST-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC5CCCO5
InChI=1SC28H29NO5c11825(28(31)331722127153222)26(2723(2918)1361424(27)30)19851121(1619)342093241020h2581116222629H67121517H21H3
MFCD02375897
O=C(C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CCC2)OCC1CCCO1
oxolan2ylmethyl2methyl5oxo4(3phenoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK011206
tetrahydrofuran2ylmethyl2methyl5oxo4(3phenoxyphenyl)145678hexahydroquinoline3carboxylate
ZINC000001453839
ZINC000001453842
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