Vitas-M small molecule compound
3-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Catalog ID
STK123329
SMILES Clc1cccc(c1CSc1nnc(n1C)c1ccc(cc1)[N+](=O)[O-])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(10-5-7-11(8-6-10)22(23)24)19-20-16(21)25-9-12-13(17)3-2-4-14(12)18/h2-8H,9H2,1H3InChIKey
XLHSZZAMCFFFJW-UHFFFAOYSA-NSynonyms
3((26DICHLOROBENZYL)SULFANYL)4METHYL5(4NITROPHENYL)4H124TRIAZOLE
3((26DICHLOROPHENYL)METHYLSULFANYL)4METHYL5(4NITROPHENYL)124TRIAZOLE
Clc1cccc(c1CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O))Cl
CN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H12Cl2N4O2Sc12115(105711(8610)22(23)24)192016(21)2591213(17)32414(12)18h28H9H21H3
MFCD03876976
ZINC000002836777
ZINC02836777
ZINC2836777
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