Vitas-M small molecule compound
5-(3-methylphenyl)-4-{[(E)-(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK568492
SMILES Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)[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 C16H13N5O2S MW 339.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O2S/c1-11-3-2-4-13(9-11)15-18-19-16(24)20(15)17-10-12-5-7-14(8-6-12)21(22)23/h2-10H,1H3,(H,19,24)/b17-10+InChIKey
VYVJHMRECOROOI-LICLKQGHSA-NSynonyms
478256-12-13(3METHYLPHENYL)4((E)(4NITROPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(4NITROPHENYL)1AZAVINYL)5(3METHYLPHENYL)124TRIAZOLE3THIOL
4((4NITROBENZYLIDENE)AMINO)5(MTOLYL)4H124TRIAZOLE3THIOL
478256121
5(3methylphenyl)4(((E)(4nitrophenyl)methylidene)amino)24dihydro3H124triazole3thione
CC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)(N+)(=O)(O)
Cc1cccc(c1)c1n(nH)c(=S)n1N=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H13N5O2Sc11132413(911)15181916(24)20(15)1710125714(8612)21(22)23h210H1H3(H1924)b1710+
MFCD05729695
ZINC000005981736
ZINC33326184
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