Vitas-M small molecule compound
4-(4-ethylphenyl)-3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
Catalog ID
STL375369
SMILES CCc1ccc(cc1)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 C23H20N4O2S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O2S/c1-2-17-8-12-20(13-9-17)26-22(19-6-4-3-5-7-19)24-25-23(26)30-16-18-10-14-21(15-11-18)27(28)29/h3-15H,2,16H2,1H3InChIKey
UQRMUAUGAYXOGC-UHFFFAOYSA-NSynonyms
4(4ethylphenyl)3((4nitrobenzyl)sulfanyl)5phenyl4H124triazole
4(4ETHYLPHENYL)3((4NITROPHENYL)METHYLSULFANYL)5PHENYL124TRIAZOLE
CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
CCc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccccc1
InChI=1SC23H20N4O2Sc121781220(13917)2622(196435719)242523(26)301618101421(151118)27(28)29h315H216H21H3
MFCD03998081
ZINC000002838381
ZINC02838381
ZINC2838381
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