Vitas-M small molecule compound
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL050188
SMILES [O-][N+](=O)c1cc(ccc1Cl)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1
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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 C18H12ClN7O2S MW 425.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN7O2S/c19-13-7-6-11(8-16(13)26(27)28)10-20-25-17(23-24-18(25)29)15-9-14(21-22-15)12-4-2-1-3-5-12/h1-10H,(H,21,22)(H,24,29)/b20-10+InChIKey
XJVIBKGLZQKHKD-KEBDBYFISA-NSynonyms
849921-66-0(E)4((4chloro3nitrobenzylidene)amino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
(O)(N+)(=O)c1cc(ccc1Cl)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1
(O)(N+)(=O)c1cc(ccc1Cl)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1
4(((E)(4chloro3nitrophenyl)methylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(4CHLORO3NITROPHENYL)METHYLIDENEAMINO)3(3PHENYL1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
849921660
C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC18H12ClN7O2Sc19137611(816(13)26(27)28)10202517(232418(25)29)15914(212215)124213512h110H(H2122)(H2429)b2010+
MFCD05729823
ZINC000009360797
ZINC4467440
Check stock
See real-time availability and sample size for STL050188 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.