Vitas-M small molecule compound
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]thiophene-3-carboxylate
Catalog ID
STK093818
SMILES CCOC(=O)c1c(NC(=O)C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)Nc1ccc(c(c1)Cl)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 C27H31ClN2O4S MW 515.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O4S/c1-4-34-25(32)21-15(3)22(23(31)29-19-6-5-14(2)20(28)10-19)35-24(21)30-26(33)27-11-16-7-17(12-27)9-18(8-16)13-27/h5-6,10,16-18H,4,7-9,11-13H2,1-3H3,(H,29,31)(H,30,33)InChIKey
PXQVASDDOBEWLW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=O)C34CC5CC(C3)CC(C5)C4
CCOC(=O)c1c(NC(=O)C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)Nc1ccc(c(c1)Cl)C
ETHYL2(ADAMANTANE1CARBONYLAMINO)5((3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(ADAMANTANYLCARBONYLAMINO)5(N(3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ethyl5((3chloro4methylphenyl)carbamoyl)4methyl2((tricyclo(3311~37~)dec1ylcarbonyl)amino)thiophene3carboxylate
InChI=1SC27H31ClN2O4Sc143425(32)2115(3)22(23(31)29196514(2)20(28)1019)3524(21)3026(33)271116717(1227)918(816)1327h56101618H4791113H213H3(H2931)(H3033)
MFCD02627439
STK093818
ZINC000006547885
ZINC06547885
ZINC6547885
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.