Vitas-M small molecule compound
methyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363185
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)(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 C21H25NO3 MW 339.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3/c1-12-6-8-14(9-7-12)18-17(20(24)25-5)13(2)22-15-10-21(3,4)11-16(23)19(15)18/h6-9,18,22H,10-11H2,1-5H3InChIKey
SHSSGEPOJXCVPN-UHFFFAOYSA-NSynonyms
181480-16-0181480160
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C
InChI=1SC21H25NO3c1126814(9712)1817(20(24)255)13(2)22151021(34)1116(23)19(15)18h691822H1011H215H3
methyl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
MFCD00717809
ZINC000000195065
ZINC000000195067
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