Vitas-M small molecule compound

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

Catalog ID
STK561765
SMILES Clc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccncc1

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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 C14H10ClN5S MW 315.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10ClN5S/c15-12-4-2-1-3-11(12)9-17-20-13(18-19-14(20)21)10-5-7-16-8-6-10/h1-9H,(H,19,21)/b17-9+
InChIKey
WSAACYQCLKBKNO-RQZCQDPDSA-N
Synonyms
354131-52-5
354131525
4(((E)(2chlorophenyl)methylidene)amino)5(pyridin4yl)24dihydro3H124triazole3thione
4((1(2CHLOROPHENYL)METH(E)YLIDENE)AMINO)5PYRIDIN4YL4H(124)TRIAZOLE3THIOL
4((1E)2(2CHLOROPHENYL)1AZAVINYL)5(4PYRIDYL)124TRIAZOLE3THIOL
4((2CHLOROBENZYLIDENE)AMINO)3(4PYRIDYL)1H124TRIAZOLE5THIONE
4((2CHLOROBENZYLIDENE)AMINO)5(4PYRIDINYL)24DIHYDRO3H124TRIAZOLE3THIONE
4((2CHLOROPHENYL)METHYLIDENEAMINO)3PYRIDIN4YL1H124TRIAZOLE5THIONE
4((E)(2CHLOROPHENYL)METHYLIDENEAMINO)3PYRIDIN4YL1H124TRIAZOLE5THIONE
C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)Cl
Clc1ccccc1C=Nn1c(=S)(nH)nc1c1ccncc1
InChI=1SC14H10ClN5Sc1512421311(12)9172013(181914(20)21)1057168610h19H(H1921)b179+
MFCD02327636
ZINC000000548190
ZINC383313

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.