Vitas-M small molecule compound
4-{4-(4-ethylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Catalog ID
STL354126
SMILES CCc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccncc1
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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 C22H19N5O2S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O2S/c1-2-16-3-7-19(8-4-16)26-21(18-11-13-23-14-12-18)24-25-22(26)30-15-17-5-9-20(10-6-17)27(28)29/h3-14H,2,15H2,1H3InChIKey
UMHMLLIVKMLYBQ-UHFFFAOYSA-NSynonyms
4(4(4ethylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazol3yl)pyridine
4(4(4ETHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=NC=C4
CCc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccncc1
InChI=1SC22H19N5O2Sc12163719(8416)2621(18111323141218)242522(26)3015175920(10617)27(28)29h314H215H21H3
MFCD03998363
ZINC000001146721
ZINC01146721
ZINC1146721
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