Vitas-M small molecule compound

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

Catalog ID
STK567585
SMILES Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cc(ccc1Cl)[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 C15H9ClFN5O2S MW 377.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9ClFN5O2S/c16-13-6-5-12(22(23)24)7-10(13)8-18-21-14(19-20-15(21)25)9-1-3-11(17)4-2-9/h1-8H,(H,20,25)/b18-8+
InChIKey
NSIAPQDSOAGHSY-QGMBQPNBSA-N
Synonyms
577984-61-3
4(((E)(2chloro5nitrophenyl)methylidene)amino)5(4fluorophenyl)24dihydro3H124triazole3thione
4((1E)2(2CHLORO5NITROPHENYL)1AZAVINYL)5(4FLUOROPHENYL)124TRIAZOLE3THIOL
4((2CHLORO5NITROBENZYLIDENE)AMINO)3(4FLUOROPHENYL)1H124TRIAZOLE5(4H)THIONE
4((E)(2CHLORO5NITROPHENYL)METHYLIDENEAMINO)3(4FLUOROPHENYL)1H124TRIAZOLE5THIONE
577984613
C1=CC(=CC=C1C2=NNC(=S)N2N=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl)F
Fc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC15H9ClFN5O2Sc16136512(22(23)24)710(13)8182114(192015(21)25)91311(17)429h18H(H2025)b188+
MFCD05734296
ZINC000005763678
ZINC33334995

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Available files

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