Vitas-M small molecule compound
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL048236
SMILES Sc1nnc(n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl)c1[nH]nc2c1CCC2
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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 C15H12ClN7O2S MW 389.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClN7O2S/c16-10-5-4-8(6-12(10)23(24)25)7-17-22-14(20-21-15(22)26)13-9-2-1-3-11(9)18-19-13/h4-7H,1-3H2,(H,18,19)(H,21,26)/b17-7+InChIKey
ULBQWJDSPXAZLV-REZTVBANSA-NSynonyms
(E)4((4chloro3nitrobenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(4chloro3nitrophenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(4chloro3nitrophenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC15H12ClN7O2Sc1610548(612(10)23(24)25)7172214(202115(22)26)13921311(9)181913h47H13H2(H1819)(H2126)b177+
MFCD05738794
Sc1nnc(n1N=Cc1ccc(c(c1)(N+)(=O)(O))Cl)c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1ccc(c(c1)(N+)(=O)(O))Cl)c1n(nH)c2c1CCC2
ZINC000005456223
ZINC2336903
Check stock
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Check stock on Vitas-MAvailable files
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