Vitas-M small molecule compound
3-(4-chlorophenyl)-4-(4-fluorophenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL375606
SMILES Fc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)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 C21H14ClFN4O2S MW 440.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClFN4O2S/c22-16-5-3-15(4-6-16)20-24-25-21(26(20)18-11-7-17(23)8-12-18)30-13-14-1-9-19(10-2-14)27(28)29/h1-12H,13H2InChIKey
QZAPOCDWUQKDGH-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)4(4fluorophenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
3(4CHLOROPHENYL)4(4FLUOROPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl)(N+)(=O)(O)
Fc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(cc1)Cl
InChI=1SC21H14ClFN4O2Sc22165315(4616)20242521(26(20)1811717(23)81218)3013141919(10214)27(28)29h112H13H2
MFCD05816037
ZINC000002838600
ZINC02838600
ZINC2838600
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