Vitas-M small molecule compound
3-benzyl-5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Catalog ID
STK676041
SMILES Clc1cccc(c1CSc1nnc(n1C)Cc1ccccc1)[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 C17H15ClN4O2S MW 374.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4O2S/c1-21-16(10-12-6-3-2-4-7-12)19-20-17(21)25-11-13-14(18)8-5-9-15(13)22(23)24/h2-9H,10-11H2,1H3InChIKey
YOIXHWGJQYEVGM-UHFFFAOYSA-NSynonyms
3BENZYL5((2CHLORO6NITROBENZYL)SULFANYL)4METHYL4H124TRIAZOLE
3BENZYL5((2CHLORO6NITROPHENYL)METHYLSULFANYL)4METHYL124TRIAZOLE
Clc1cccc(c1CSc1nnc(n1C)Cc1ccccc1)(N+)(=O)(O)
CN1C(=NN=C1SCC2=C(C=CC=C2Cl)(N+)(=O)(O))CC3=CC=CC=C3
InChI=1SC17H15ClN4O2Sc12116(10126324712)192017(21)25111314(18)85915(13)22(23)24h29H1011H21H3
MFCD01926116
ZINC000004537006
ZINC04537006
ZINC4537006
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