Vitas-M small molecule compound
methyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407216
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)Cl)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 C20H21Cl2NO3 MW 394.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2NO3/c1-10-16(19(25)26-4)17(11-5-6-12(21)13(22)7-11)18-14(23-10)8-20(2,3)9-15(18)24/h5-7,17,23H,8-9H2,1-4H3InChIKey
YVMHMCPOQPKZIN-UHFFFAOYSA-NSynonyms
313238-16-3313238163
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC
InChI=1SC20H21Cl2NO3c11016(19(25)264)17(115612(21)13(22)711)1814(2310)820(23)915(18)24h571723H89H214H3
methyl4(34dichlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(34dichlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00368209
ZINC000000811249
ZINC000000811251
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