Vitas-M small molecule compound
3-[(2-chloro-6-nitrobenzyl)sulfanyl]-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK272346
SMILES Fc1cccc(c1)c1nnc(n1c1ccccc1)SCc1c(Cl)cccc1[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 C21H14ClFN4O2S MW 440.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClFN4O2S/c22-18-10-5-11-19(27(28)29)17(18)13-30-21-25-24-20(14-6-4-7-15(23)12-14)26(21)16-8-2-1-3-9-16/h1-12H,13H2InChIKey
SZVCJAHKRILQLX-UHFFFAOYSA-NSynonyms
3((2chloro6nitrobenzyl)sulfanyl)5(3fluorophenyl)4phenyl4H124triazole
3((2CHLORO6NITROPHENYL)METHYLSULFANYL)5(3FLUOROPHENYL)4PHENYL124TRIAZOLE
C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)(N+)(=O)(O))C4=CC(=CC=C4)F
Fc1cccc(c1)c1nnc(n1c1ccccc1)SCc1c(Cl)cccc1(N+)(=O)(O)
InChI=1SC21H14ClFN4O2Sc22181051119(27(28)29)17(18)133021252420(1464715(23)1214)26(21)168213916h112H13H2
MFCD07357673
ZINC000009625924
ZINC09625924
ZINC9625924
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