Vitas-M small molecule compound

5-(5-methyl-1H-pyrazol-3-yl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STL040959
SMILES Cc1[nH]nc(c1)c1nnc(n1/N=C/C=C/c1ccccc1[N+](=O)[O-])S

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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 C15H13N7O2S MW 355.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N7O2S/c1-10-9-12(18-17-10)14-19-20-15(25)21(14)16-8-4-6-11-5-2-3-7-13(11)22(23)24/h2-9H,1H3,(H,17,18)(H,20,25)/b6-4+,16-8+
InChIKey
UJKCDUVGQQKHCT-LWOAUJEXSA-N
Synonyms
849923-03-1
3(5METHYL1HPYRAZOL3YL)4((E)((E)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
4((1E3E)4(2NITROPHENYL)1AZABUTA13DIENYL)5(3METHYLPYRAZOL5YL)124TRIAZOLE3THIOL
5(3methyl1Hpyrazol5yl)4((E)((E)3(2nitrophenyl)allylidene)amino)4H124triazole3thiol
5(5methyl1Hpyrazol3yl)4(((1E2E)3(2nitrophenyl)prop2en1ylidene)amino)4H124triazole3thiol
849923031
Cc1(nH)nc(c1)c1nnc(n1N=CC=Cc1ccccc1(N+)(=O)(O))S
CC1=CC(=NN1)C2=NNC(=S)N2N=CC=CC3=CC=CC=C3(N+)(=O)(O)
Cc1n(nH)c(c1)c1nnc(n1N=CC=Cc1ccccc1(N+)(=O)(O))S
InChI=1SC15H13N7O2Sc110912(181710)14192015(25)21(14)1684611523713(11)22(23)24h29H1H3(H1718)(H2025)b64+168+
MFCD05735873
ZINC000009009040
ZINC33940525

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Available files

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