Vitas-M small molecule compound

3-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine

Catalog ID
STL053668
SMILES Cc1cccc(c1)c1nnc(n1N)SCc1ccc(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 C16H15N5O2S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2S/c1-11-3-2-4-13(9-11)15-18-19-16(20(15)17)24-10-12-5-7-14(8-6-12)21(22)23/h2-9H,10,17H2,1H3
InChIKey
JQKVCBQJGLIBLG-UHFFFAOYSA-N
Synonyms
678539-99-6
3((4nitrobenzyl)thio)5(mtolyl)4H124triazol4amine
3(3methylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazol4amine
3(3METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL4AMINE
5(3METHYLPHENYL)3((4NITROPHENYL)METHYLTHIO)124TRIAZOLE4YLAMINE
678539996
CC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)(N+)(=O)(O)
Cc1cccc(c1)c1nnc(n1N)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H15N5O2Sc11132413(911)15181916(20(15)17)2410125714(8612)21(22)23h29H1017H21H3
MFCD04011718
ZINC000000525922
ZINC00525922
ZINC525922

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Available files

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