Vitas-M small molecule compound
4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK364266
SMILES OCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C22H26N2O4 MW 382.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4/c1-13-15(12-23)20(21-16(24-13)10-22(2,3)11-17(21)26)14-5-6-18(28-8-7-25)19(9-14)27-4/h5-6,9,20,24-25H,7-8,10-11H2,1-4H3InChIKey
NSNWMKPWILZRHU-UHFFFAOYSA-NSynonyms
4(4(2hydroxyethoxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carbonitrile
4(4(2hydroxyethoxy)3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCCO)OC)C#N
InChI=1SC22H26N2O4c11315(1223)20(2116(2413)1022(23)1117(21)26)145618(288725)19(914)274h569202425H781011H214H3
MFCD01122124
ZINC000100528494
ZINC000100528497
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