Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK807236
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2
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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 C23H18N4O5S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5S/c28-27(29)18-8-6-16(7-9-18)14-33-23-25-24-22(26(23)17-4-2-1-3-5-17)13-30-19-10-11-20-21(12-19)32-15-31-20/h1-12H,13-15H2InChIKey
VAAOXKKNASIQED-UHFFFAOYSA-NSynonyms
609792-86-1(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2
3((13benzodioxol5yloxy)methyl)5((4nitrobenzyl)sulfanyl)4phenyl4H124triazole
3((BENZO(D)(13)DIOXOL5YLOXY)METHYL)5((4NITROBENZYL)THIO)4PHENYL4H124TRIAZOLE
3(13BENZODIOXOL5YLOXYMETHYL)5((4NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
5((5((4NITROPHENYL)METHYLTHIO)4PHENYL124TRIAZOL3YL)METHOXY)2HBENZO(D)13DIOXOLANE
609792861
C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H18N4O5Sc2827(29)188616(7918)143323252422(26(23)174213517)13301910112021(1219)32153120h112H1315H2
MFCD04212487
ZINC000002840737
ZINC02840737
ZINC2840737
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