Vitas-M small molecule compound

4-ethyl-3-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STK232387
SMILES CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1cccc(c1)C

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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 C18H18N4O2S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-3-21-17(15-6-4-5-13(2)11-15)19-20-18(21)25-12-14-7-9-16(10-8-14)22(23)24/h4-11H,3,12H2,1-2H3
InChIKey
SJORIFLJUXMCAB-UHFFFAOYSA-N
Synonyms
714916-12-8
4ethyl3((4nitrobenzyl)thio)5(mtolyl)4H124triazole
4ETHYL3(3METHYLPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOLE
4ETHYL3(3METHYLPHENYL)5((4NITROBENZYL)SULFANYL)4H124TRIAZOLE
4ETHYL3(3METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
4ETHYL5(3METHYLPHENYL)3((4NITROPHENYL)METHYLTHIO)124TRIAZOLE
714916128
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=CC=C3)C
CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1cccc(c1)C
InChI=1SC18H18N4O2Sc132117(1564513(2)1115)192018(21)2512147916(10814)22(23)24h411H312H212H3
MFCD05532648
ZINC000004841371
ZINC04841371
ZINC4841371

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Available files

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