Vitas-M small molecule compound
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK594755
SMILES [O-][N+](=O)c1cc(ccc1Cl)/C=N/n1c(=S)[nH]nc1c1ccco1
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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 C13H8ClN5O3S MW 349.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8ClN5O3S/c14-9-4-3-8(6-10(9)19(20)21)7-15-18-12(16-17-13(18)23)11-2-1-5-22-11/h1-7H,(H,17,23)/b15-7+InChIKey
QBXJAPSPEOGOKS-VIZOYTHASA-NSynonyms
500271-72-7(O)(N+)(=O)c1cc(ccc1Cl)C=Nn1c(=S)(nH)nc1c1ccco1
4(((E)(4chloro3nitrophenyl)methylidene)amino)5(furan2yl)24dihydro3H124triazole3thione
4((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)5(2FURYL)124TRIAZOLE3THIOL
4((E)(4CHLORO3NITROPHENYL)METHYLIDENEAMINO)3(FURAN2YL)1H124TRIAZOLE5THIONE
500271727
C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC13H8ClN5O3Sc149438(610(9)19(20)21)7151812(161713(18)23)112152211h17H(H1723)b157+
MFCD07197490
ZINC000005997469
ZINC33325938
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