Vitas-M small molecule compound
5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL053967
SMILES COc1cc(OC)c(c(c1)OC)/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 C18H20N6O3S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O3S/c1-25-10-7-14(26-2)12(15(8-10)27-3)9-19-24-17(22-23-18(24)28)16-11-5-4-6-13(11)20-21-16/h7-9H,4-6H2,1-3H3,(H,20,21)(H,23,28)/b19-9+InChIKey
BUAQBQFIDLDFHJ-DJKKODMXSA-NSynonyms
(E)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4((246trimethoxybenzylidene)amino)4H124triazole3thiol
3(1456tetrahydrocyclopenta(c)pyrazol3yl)4((E)(246trimethoxyphenyl)methylideneamino)1H124triazole5thione
4((1E)2(246TRIMETHOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
5(2456tetrahydrocyclopenta(c)pyrazol3yl)4(((E)(246trimethoxyphenyl)methylidene)amino)4H124triazole3thiol
COC1=CC(=C(C(=C1)OC)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4)OC
COc1cc(OC)c(c(c1)OC)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
COc1cc(OC)c(c(c1)OC)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC18H20N6O3Sc12510714(262)12(15(810)273)9192417(222318(24)28)161154613(11)202116h79H46H213H3(H2021)(H2328)b199+
MFCD05729762
ZINC000005625593
ZINC1263381
Check stock
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Check stock on Vitas-MAvailable files
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