Vitas-M small molecule compound
4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL054656
SMILES Sc1nnc(n1/N=C/c1ccc(cc1)c1ccccc1)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 C21H18N6S MW 386.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6S/c28-21-26-25-20(19-17-7-4-8-18(17)23-24-19)27(21)22-13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8H2,(H,23,24)(H,26,28)/b22-13+InChIKey
YFSPFXIYIGOKQB-LPYMAVHISA-NSynonyms
(E)4(((11biphenyl)4ylmethylene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)biphenyl4ylmethylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(4PHENYLPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(4phenylphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=C(C=C4)C5=CC=CC=C5
InChI=1SC21H18N6Sc2821262520(191774818(17)232419)27(21)22131491116(121014)155213615h1356913H478H2(H2324)(H2628)b2213+
MFCD05728102
Sc1nnc(n1N=Cc1ccc(cc1)c1ccccc1)c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1ccc(cc1)c1ccccc1)c1n(nH)c2c1CCC2
ZINC000006786140
ZINC1315033
Check stock
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Check stock on Vitas-MAvailable files
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