Vitas-M small molecule compound
3-[(4-methoxy-3-nitrobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK736029
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)[N+](=O)[O-])OC
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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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-30-19-11-9-17(10-12-19)22-24-25-23(26(22)18-6-4-3-5-7-18)32-15-16-8-13-21(31-2)20(14-16)27(28)29/h3-14H,15H2,1-2H3InChIKey
BGBRZTBTOGMBNA-UHFFFAOYSA-NSynonyms
3((4methoxy3nitrobenzyl)sulfanyl)5(4methoxyphenyl)4phenyl4H124triazole
3((4METHOXY3NITROPHENYL)METHYLSULFANYL)5(4METHOXYPHENYL)4PHENYL124TRIAZOLE
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)(N+)(=O)(O))OC
InChI=1SC23H20N4O4Sc1301911917(101219)22242523(26(22)186435718)32151681321(312)20(1416)27(28)29h314H15H212H3
MFCD05857402
ZINC000001428394
ZINC01428394
ZINC1428394
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