Vitas-M small molecule compound
4-{[(E)-(4-methylphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK569018
SMILES Cc1ccc(cc1)/C=N/n1c(S)nnc1c1[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/c1-10-5-7-11(8-6-10)9-17-22-15(20-21-16(22)23)14-12-3-2-4-13(12)18-19-14/h5-9H,2-4H2,1H3,(H,18,19)(H,21,23)/b17-9+InChIKey
NLPKPAQEMLZTJU-RQZCQDPDSA-NSynonyms
(E)4((4methylbenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(4methylphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(4METHYLPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(4methylphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
CC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
Cc1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
Cc1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC16H16N6Sc1105711(8610)9172215(202116(22)23)141232413(12)181914h59H24H21H3(H1819)(H2123)b179+
MFCD05733066
ZINC000009358259
ZINC2605548
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