Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK736367
SMILES Clc1cccc(c1CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2)[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 C23H17ClN4O5S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O5S/c24-18-7-4-8-19(28(29)30)17(18)13-34-23-26-25-22(27(23)15-5-2-1-3-6-15)12-31-16-9-10-20-21(11-16)33-14-32-20/h1-11H,12-14H2InChIKey
VCXMPUXEZRDSRF-UHFFFAOYSA-NSynonyms
3((13benzodioxol5yloxy)methyl)5((2chloro6nitrobenzyl)sulfanyl)4phenyl4H124triazole
3(13BENZODIOXOL5YLOXYMETHYL)5((2CHLORO6NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=C(C=CC=C5Cl)(N+)(=O)(O)
Clc1cccc(c1CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC23H17ClN4O5Sc241874819(28(29)30)17(18)133423262522(27(23)155213615)1231169102021(1116)33143220h111H1214H2
MFCD07658156
ZINC000012377105
ZINC12377105
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