Vitas-M small molecule compound

3-(3-bromophenyl)-5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole

Catalog ID
STK735251
SMILES COc1ccc(cc1[N+](=O)[O-])CSc1nnc(n1c1ccccc1)c1cccc(c1)Br

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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 C22H17BrN4O3S MW 497.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O3S/c1-30-20-11-10-15(12-19(20)27(28)29)14-31-22-25-24-21(16-6-5-7-17(23)13-16)26(22)18-8-3-2-4-9-18/h2-13H,14H2,1H3
InChIKey
SPNJEFPLORLUDZ-UHFFFAOYSA-N
Synonyms
311787-95-8
3(3bromophenyl)5((4methoxy3nitrobenzyl)sulfanyl)4phenyl4H124triazole
3(3bromophenyl)5((4methoxy3nitrobenzyl)thio)4phenyl4H124triazole
3(3BROMOPHENYL)5((4METHOXY3NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
311787958
COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))CSc1nnc(n1c1ccccc1)c1cccc(c1)Br
InChI=1SC22H17BrN4O3Sc13020111015(1219(20)27(28)29)143122252421(1665717(23)1316)26(22)188324918h213H14H21H3
MFCD00754624
ZINC000002181393
ZINC02181393
ZINC2181393

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Available files

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