Vitas-M small molecule compound

3-[(4-nitrobenzyl)sulfanyl]-4,5-diphenyl-4H-1,2,4-triazole

Catalog ID
STK234875
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccccc1

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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 C21H16N4O2S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O2S/c26-25(27)19-13-11-16(12-14-19)15-28-21-23-22-20(17-7-3-1-4-8-17)24(21)18-9-5-2-6-10-18/h1-14H,15H2
InChIKey
YPSUPOZKRNQKMD-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccccc1
3((4nitrobenzyl)sulfanyl)45diphenyl4H124triazole
3((4NITROPHENYL)METHYLSULFANYL)45DIPHENYL124TRIAZOLE
3((4NITROPHENYL)METHYLTHIO)45DIPHENYL124TRIAZOLE
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H16N4O2Sc2625(27)19131116(121419)152821232220(177314817)24(21)1895261018h114H15H2
MFCD03478908
ZINC000002835493
ZINC02835493
ZINC2835493

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Available files

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