Vitas-M small molecule compound

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

Catalog ID
STK570354
SMILES COc1c(OC)cc(cc1OC)/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/c1-25-13-7-10(8-14(26-2)16(13)27-3)9-19-24-17(22-23-18(24)28)15-11-5-4-6-12(11)20-21-15/h7-9H,4-6H2,1-3H3,(H,20,21)(H,23,28)/b19-9+
InChIKey
YFTVYZKVCULXLW-DJKKODMXSA-N
Synonyms

(E)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4((345trimethoxybenzylidene)amino)4H124triazole3thiol
3(1456tetrahydrocyclopenta(c)pyrazol3yl)4((E)(345trimethoxyphenyl)methylideneamino)1H124triazole5thione
4((1E)2(345TRIMETHOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
5(2456tetrahydrocyclopenta(c)pyrazol3yl)4(((E)(345trimethoxyphenyl)methylidene)amino)4H124triazole3thiol
COC1=CC(=CC(=C1OC)OC)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
COc1c(OC)cc(cc1OC)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
COc1c(OC)cc(cc1OC)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC18H20N6O3Sc12513710(814(262)16(13)273)9192417(222318(24)28)151154612(11)202115h79H46H213H3(H2021)(H2328)b199+
MFCD05727339
ZINC000005577995
ZINC33327000

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Available files

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