Vitas-M small molecule compound
4-(3-methylphenyl)-3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
Catalog ID
STL375515
SMILES Cc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1
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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 C22H18N4O2S MW 402.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O2S/c1-16-6-5-9-20(14-16)25-21(18-7-3-2-4-8-18)23-24-22(25)29-15-17-10-12-19(13-11-17)26(27)28/h2-14H,15H2,1H3InChIKey
UXSOQGLNEKOPMZ-UHFFFAOYSA-NSynonyms
4(3methylphenyl)3((4nitrobenzyl)sulfanyl)5phenyl4H124triazole
4(3METHYLPHENYL)3((4NITROPHENYL)METHYLSULFANYL)5PHENYL124TRIAZOLE
CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
Cc1cccc(c1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccccc1
InChI=1SC22H18N4O2Sc11665920(1416)2521(187324818)232422(25)291517101219(131117)26(27)28h214H15H21H3
MFCD03997959
ZINC000002838336
ZINC02838336
ZINC2838336
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