Vitas-M small molecule compound

ethyl 4-(4-methylphenyl)-2-({2,2,2-trichloro-1-[(naphthalen-1-ylcarbonyl)amino]ethyl}amino)thiophene-3-carboxylate

Catalog ID
STK809059
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc2c1cccc2

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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 C27H23Cl3N2O3S MW 561.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23Cl3N2O3S/c1-3-35-25(34)22-21(18-13-11-16(2)12-14-18)15-36-24(22)32-26(27(28,29)30)31-23(33)20-10-6-8-17-7-4-5-9-19(17)20/h4-15,26,32H,3H2,1-2H3,(H,31,33)
InChIKey
OYOWRSSPQYHVFS-UHFFFAOYSA-N
Synonyms
611185-63-8
611185638
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC4=CC=CC=C43
ETHYL2((1(1NAPHTHAMIDO)222TRICHLOROETHYL)AMINO)4(PTOLYL)THIOPHENE3CARBOXYLATE
ethyl4(4methylphenyl)2((222trichloro1((naphthalen1ylcarbonyl)amino)ethyl)amino)thiophene3carboxylate
ETHYL4(4METHYLPHENYL)2((222TRICHLORO1(NAPHTHALENE1CARBONYLAMINO)ETHYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC27H23Cl3N2O3Sc133525(34)2221(18131116(2)121418)153624(22)3226(27(2829)30)3123(33)20106817745919(17)20h4152632H3H212H3(H3133)
MFCD03461183
ZINC000002672847
ZINC000098050304

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.