Vitas-M small molecule compound
4-{[(E)-naphthalen-1-ylmethylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL048813
SMILES Sc1nnc(n1/N=C/c1cccc2c1cccc2)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 C19H16N6S MW 360.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6S/c26-19-24-23-18(17-15-9-4-10-16(15)21-22-17)25(19)20-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,11H,4,9-10H2,(H,21,22)(H,24,26)/b20-11+InChIKey
YXLXPIPZSUWGQE-RGVLZGJSSA-NSynonyms
(E)4((naphthalen1ylmethylene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)naphthalen1ylmethylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2NAPHTHYL1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)naphthalen1ylmethylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=CC5=CC=CC=C54
InChI=1SC19H16N6Sc2619242318(1715941016(15)212217)25(19)20111373612512814(12)13h135811H4910H2(H2122)(H2426)b2011+
MFCD05731655
Sc1nnc(n1N=Cc1cccc2c1cccc2)c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1cccc2c1cccc2)c1n(nH)c2c1CCC2
ZINC000006786178
ZINC1270729
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