Vitas-M small molecule compound

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

Catalog ID
STL054930
SMILES Sc1nnc(n1/N=C/c1ccccc1C)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 C16H16N6S MW 324.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6S/c1-10-5-2-3-6-11(10)9-17-22-15(20-21-16(22)23)14-12-7-4-8-13(12)18-19-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19)(H,21,23)/b17-9+
InChIKey
SPGWJQAQPIPLQY-RQZCQDPDSA-N
Synonyms

(E)4((2methylbenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(2methylphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(2METHYLPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(2methylphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
CC1=CC=CC=C1C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
InChI=1SC16H16N6Sc110523611(10)9172215(202116(22)23)141274813(12)181914h23569H478H21H3(H1819)(H2123)b179+
MFCD05736002
Sc1nnc(n1N=Cc1ccccc1C)c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1ccccc1C)c1n(nH)c2c1CCC2
ZINC000006785920
ZINC1275866

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Available files

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