Vitas-M small molecule compound

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

Catalog ID
STK568574
SMILES Sc1nnc(n1/N=C/c1ccccc1[N+](=O)[O-])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 C15H13N7O2S MW 355.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N7O2S/c23-22(24)12-7-2-1-4-9(12)8-16-21-14(19-20-15(21)25)13-10-5-3-6-11(10)17-18-13/h1-2,4,7-8H,3,5-6H2,(H,17,18)(H,20,25)/b16-8+
InChIKey
XSRNTXDGPAMECD-LZYBPNLTSA-N
Synonyms

(E)4((2nitrobenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(2nitrophenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(2NITROPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(2nitrophenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=CC=C4(N+)(=O)(O)
InChI=1SC15H13N7O2Sc2322(24)1272149(12)8162114(192015(21)25)131053611(10)171813h12478H356H2(H1718)(H2025)b168+
MFCD05727469
Sc1nnc(n1N=Cc1ccccc1(N+)(=O)(O))c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1ccccc1(N+)(=O)(O))c1n(nH)c2c1CCC2
ZINC000009244279
ZINC33940520

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Available files

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