Vitas-M small molecule compound
4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL167714
SMILES CCOc1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c2c1CCC2
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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 C17H18N6OS MW 354.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6OS/c1-2-24-12-8-6-11(7-9-12)10-18-23-16(21-22-17(23)25)15-13-4-3-5-14(13)19-20-15/h6-10H,2-5H2,1H3,(H,19,20)(H,22,25)/b18-10+InChIKey
UQIKKTVSDCJLDW-VCHYOVAHSA-NSynonyms
4(((E)(4ethoxyphenyl)methylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(4ETHOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(4ethoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
CCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
CCOc1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC17H18N6OSc1224128611(7912)10182316(212217(23)25)151343514(13)192015h610H25H21H3(H1920)(H2225)b1810+
MFCD08532038
ZINC000019827472
ZINC103210211
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