Vitas-M small molecule compound

4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL057746
SMILES Brc1ccc(c(c1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2)F

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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 C15H12BrFN6S MW 407.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrFN6S/c16-9-4-5-11(17)8(6-9)7-18-23-14(21-22-15(23)24)13-10-2-1-3-12(10)19-20-13/h4-7H,1-3H2,(H,19,20)(H,22,24)/b18-7+
InChIKey
NREQGPMFSUBEBV-CNHKJKLMSA-N
Synonyms

(E)4((5bromo2fluorobenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(5bromo2fluorophenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(5BROMO2FLUOROPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(5bromo2fluorophenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
Brc1ccc(c(c1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2)F
Brc1ccc(c(c1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2)F
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=C(C=CC(=C4)Br)F
InChI=1SC15H12BrFN6Sc1694511(17)8(69)7182314(212215(23)24)131021312(10)192013h47H13H2(H1920)(H2224)b187+
MFCD05724428
ZINC000005626210
ZINC33331198

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Available files

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