Vitas-M small molecule compound
5-(2,4-dichlorophenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK561408
SMILES Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1[N+](=O)[O-]
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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 C17H11Cl2N5O2S MW 420.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11Cl2N5O2S/c18-12-7-8-13(14(19)10-12)16-21-22-17(27)23(16)20-9-3-5-11-4-1-2-6-15(11)24(25)26/h1-10H,(H,22,27)/b5-3+,20-9+InChIKey
BXSIVYHASISTOX-DZDNCDRKSA-NSynonyms
430450-08-13(24DICHLOROPHENYL)4((E)((E)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
430450081
5(24dichlorophenyl)4(((1E2E)3(2nitrophenyl)prop2en1ylidene)amino)24dihydro3H124triazole3thione
Clc1ccc(c(c1)Cl)c1n(nH)c(=S)n1N=CC=Cc1ccccc1(N+)(=O)(O)
InChI=1SC17H11Cl2N5O2Sc18127813(14(19)1012)16212217(27)23(16)2093511412615(11)24(25)26h110H(H2227)b53+209+
MFCD03797691
ZINC000016946784
ZINC33429951
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