Vitas-M small molecule compound
ethyl 6-ethyl-2-{[(4-fluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK765077
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)F)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 C20H22FNO3S MW 375.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FNO3S/c1-3-12-5-10-15-16(11-12)26-19(17(15)20(24)25-4-2)22-18(23)13-6-8-14(21)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,23)InChIKey
JXICJJGQQREZGP-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)F
ethyl6ethyl2(((4fluorophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((4fluorobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H22FNO3Sc13125101516(1112)2619(17(15)20(24)2542)2218(23)136814(21)9713h6912H351011H212H3(H2223)
MFCD02928259
ZINC000004558277
ZINC000004558278
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