Vitas-M small molecule compound
methyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363182
SMILES COC(=O)c1ccc(cc1)C1C2=C(CCCC2=O)NC(=C1C(=O)OC)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 C20H21NO5 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5/c1-11-16(20(24)26-3)17(18-14(21-11)5-4-6-15(18)22)12-7-9-13(10-8-12)19(23)25-2/h7-10,17,21H,4-6H2,1-3H3InChIKey
OUTDMSLBYKDQIA-UHFFFAOYSA-NSynonyms
299948-20-2299948202
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(=O)OC)C(=O)OC
InChI=1SC20H21NO5c11116(20(24)263)17(1814(2111)54615(18)22)127913(10812)19(23)252h7101721H46H213H3
methyl4(4(methoxycarbonyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4methoxycarbonylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00717969
ZINC000019536365
ZINC000019536368
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