Vitas-M small molecule compound
ethyl 2-{[(2-chloro-6-fluorophenyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK429498
SMILES CCOC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCC(C2)CC
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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 C21H23ClFNO3S MW 423.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClFNO3S/c1-3-12-8-9-13-17(10-12)28-20(19(13)21(26)27-4-2)24-18(25)11-14-15(22)6-5-7-16(14)23/h5-7,12H,3-4,8-11H2,1-2H3,(H,24,25)InChIKey
XGSZQJZSMIBPFL-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC3=C(C=CC=C3Cl)F
ethyl2(((2chloro6fluorophenyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(2chloro6fluorophenyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H23ClFNO3Sc1312891317(1012)2820(19(13)21(26)2742)2418(25)111415(22)65716(14)23h5712H34811H212H3(H2425)
MFCD03233455
ZINC000002105101
ZINC000002105104
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