Vitas-M small molecule compound
3-[(4-methoxyphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK245662
SMILES COc1ccc(cc1)OCc1nnc(n1c1ccccc1)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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-30-20-11-13-21(14-12-20)31-15-22-24-25-23(26(22)18-5-3-2-4-6-18)32-16-17-7-9-19(10-8-17)27(28)29/h2-14H,15-16H2,1H3InChIKey
HFBOELVSVIOHRN-UHFFFAOYSA-NSynonyms
3((4METHOXYPHENOXY)METHYL)5((4NITROBENZYL)SULFANYL)4PHENYL4H124TRIAZOLE
3((4METHOXYPHENOXY)METHYL)5((4NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
3(4METHOXYPHENOXYMETHYL)5(4NITROBENZYLSULFANYL)4PHENYL4H(124)TRIAZOLE
COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H20N4O4Sc13020111321(141220)311522242523(26(22)185324618)3216177919(10817)27(28)29h214H1516H21H3
MFCD06397034
ZINC000009264813
ZINC09264813
ZINC9264813
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