Vitas-M small molecule compound

3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole

Catalog ID
STK120418
SMILES Cn1c(nnc1c1ccc(cc1)[N+](=O)[O-])SCc1ccc(c(c1)Cl)Cl

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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 C16H12Cl2N4O2S MW 395.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2N4O2S/c1-21-15(11-3-5-12(6-4-11)22(23)24)19-20-16(21)25-9-10-2-7-13(17)14(18)8-10/h2-8H,9H2,1H3
InChIKey
ACNDSENYPVNFHT-UHFFFAOYSA-N
Synonyms

3((34DICHLOROBENZYL)SULFANYL)4METHYL5(4NITROPHENYL)4H124TRIAZOLE
3((34DICHLOROPHENYL)METHYLSULFANYL)4METHYL5(4NITROPHENYL)124TRIAZOLE
CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)(N+)(=O)(O)
Cn1c(nnc1c1ccc(cc1)(N+)(=O)(O))SCc1ccc(c(c1)Cl)Cl
InChI=1SC16H12Cl2N4O2Sc12115(113512(6411)22(23)24)192016(21)259102713(17)14(18)810h28H9H21H3
MFCD03877000
ZINC000004691588
ZINC04691588
ZINC4691588

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Available files

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