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3-benzyl-6-[5-(4-nitrophenyl)furan-2-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL017225
SMILES [O-][N+](=O)c1ccc(cc1)c1ccc(o1)c1nn2c(s1)nnc2Cc1ccccc1

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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 C20H13N5O3S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N5O3S/c26-25(27)15-8-6-14(7-9-15)16-10-11-17(28-16)19-23-24-18(21-22-20(24)29-19)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey
PYSFPOYOUFLJQY-UHFFFAOYSA-N
Synonyms
(O)(N+)(=O)c1ccc(cc1)c1ccc(o1)c1nn2c(s1)nnc2Cc1ccccc1
3benzyl6(5(4nitrophenyl)furan2yl)(124)triazolo(34b)(134)thiadiazole
6(5(4NITROPHENYL)(2FURYL))3BENZYL124TRIAZOLO(34B)134THIADIAZOLINE
C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=CC=C(C=C5)(N+)(=O)(O)
Registry IDs
MFCD05827099
ZINC000004539855
ZINC04539855
ZINC4539855

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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