Vitas-M small molecule compound
4-methyl-3-[(4-nitrobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Catalog ID
STK807126
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1C)SCc1ccc(cc1)[N+](=O)[O-]
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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 C19H20N4O5S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O5S/c1-22-18(13-9-15(26-2)17(28-4)16(10-13)27-3)20-21-19(22)29-11-12-5-7-14(8-6-12)23(24)25/h5-10H,11H2,1-4H3InChIKey
CGDVTYBQHWPUIL-UHFFFAOYSA-NSynonyms
496777-07-2123TRIMETHOXY5(4METHYL5((4NITROPHENYL)METHYLTHIO)(124TRIAZOL3YL))BENZENE
496777072
4methyl3((4nitrobenzyl)sulfanyl)5(345trimethoxyphenyl)4H124triazole
4METHYL3((4NITROBENZYL)THIO)5(345TRIMETHOXYPHENYL)4H124TRIAZOLE
4METHYL3((4NITROPHENYL)METHYLSULFANYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE
CN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=C(C(=C3)OC)OC)OC
COc1cc(cc(c1OC)OC)c1nnc(n1C)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H20N4O5Sc12218(13915(262)17(284)16(1013)273)202119(22)2911125714(8612)23(24)25h510H11H214H3
MFCD03621324
ZINC000001144500
ZINC01144500
ZINC1144500
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