Vitas-M small molecule compound
5-(4-methylphenyl)-4-({(E)-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK508975
SMILES Cc1ccc(cc1)c1nnc(n1/N=C/c1cccn1c1ccc(cc1)[N+](=O)[O-])S
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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 C20H16N6O2S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O2S/c1-14-4-6-15(7-5-14)19-22-23-20(29)25(19)21-13-18-3-2-12-24(18)16-8-10-17(11-9-16)26(27)28/h2-13H,1H3,(H,23,29)/b21-13+InChIKey
KDFHGPQZNIGHFF-FYJGNVAPSA-NSynonyms
3(4methylphenyl)4((E)(1(4nitrophenyl)pyrrol2yl)methylideneamino)1H124triazole5thione
5(4methylphenyl)4(((E)(1(4nitrophenyl)1Hpyrrol2yl)methylidene)amino)4H124triazole3thiol
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CN3C4=CC=C(C=C4)(N+)(=O)(O)
Cc1ccc(cc1)c1nnc(n1N=Cc1cccn1c1ccc(cc1)(N+)(=O)(O))S
InChI=1SC20H16N6O2Sc1144615(7514)19222320(29)25(19)211318321224(18)1681017(11916)26(27)28h213H1H3(H2329)b2113+
MFCD01020044
ZINC000005330936
ZINC98021248
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