Vitas-M small molecule compound

5-(furan-2-yl)-4-{[(E)-(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STL039318
SMILES [O-][N+](=O)c1ccc(cc1)/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 C13H9N5O3S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O3S/c19-18(20)10-5-3-9(4-6-10)8-14-17-12(15-16-13(17)22)11-2-1-7-21-11/h1-8H,(H,16,22)/b14-8+
InChIKey
ROHVHVSLIUUPDG-RIYZIHGNSA-N
Synonyms
146173-49-1
(O)(N+)(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccco1
146173491
3(FURAN2YL)4((E)(4NITROPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(4NITROPHENYL)1AZAVINYL)5(2FURYL)124TRIAZOLE3THIOL
5(furan2yl)4(((E)(4nitrophenyl)methylidene)amino)24dihydro3H124triazole3thione
C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC13H9N5O3Sc1918(20)10539(4610)8141712(151613(17)22)112172111h18H(H1622)b148+
MFCD03811960
ZINC000017160295
ZINC33326048

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Available files

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