Vitas-M small molecule compound

ethyl 2-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL359308
SMILES CCOC(=O)c1c(N/C=C\2/C(=NN(C2=O)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 C22H22FN3O3S MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O3S/c1-3-29-22(28)19-16-6-4-5-7-18(16)30-20(19)24-12-17-13(2)25-26(21(17)27)15-10-8-14(23)9-11-15/h8-12,24H,3-7H2,1-2H3/b17-12-
InChIKey
XNWAUALFTHAELY-ATVHPVEESA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccc(cc2)F)C)sc2c1CCCC2
ethyl2(((Z)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H22FN3O3Sc132922(28)1916645718(16)3020(19)24121713(2)2526(21(17)27)1510814(23)91115h81224H37H212H3b1712
MFCD28033638
ZINC000101346807
ZINC101346807

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Available files

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