Vitas-M small molecule compound
ethyl 2-{[{(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL006898
SMILES CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccc(cc2)F)\C)sc2c1CCCC2
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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 C21H22FN3O4S MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O4S/c1-3-29-21(28)17-15-6-4-5-7-16(15)30-20(17)23-18(26)19(27)25-24-12(2)13-8-10-14(22)11-9-13/h8-11H,3-7H2,1-2H3,(H,23,26)(H,25,27)/b24-12+InChIKey
XZUVZAPMSDHPGW-WYMPLXKRSA-NSynonyms
845666-13-9(E)ethyl2(2(2(1(4fluorophenyl)ethylidene)hydrazinyl)2oxoacetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
845666139
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NN=C(C)C3=CC=C(C=C3)F
CCOC(=O)c1c(NC(=O)C(=O)NN=C(c2ccc(cc2)F)C)sc2c1CCCC2
ethyl2((((2E)2(1(4fluorophenyl)ethylidene)hydrazinyl)(oxo)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((2E)2(1(4fluorophenyl)ethylidene)hydrazinyl)2oxoacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H22FN3O4Sc132921(28)1715645716(15)3020(17)2318(26)19(27)252412(2)1381014(22)11913h811H37H212H3(H2326)(H2527)b2412+
MFCD03885352
ZINC000013769298
ZINC103079481
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