Vitas-M small molecule compound
7-[({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Catalog ID
STK666513
SMILES COc1c(CSc2nnc(n2c2ccccc2)COc2ccc3c(c2)OCO3)c2C(=O)OCc2c(c1OC)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 C28H25N3O8S MW 563.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O8S/c1-33-24-18-12-37-27(32)23(18)19(25(34-2)26(24)35-3)14-40-28-30-29-22(31(28)16-7-5-4-6-8-16)13-36-17-9-10-20-21(11-17)39-15-38-20/h4-11H,12-15H2,1-3H3InChIKey
VOSIMFQJPDPYNC-UHFFFAOYSA-NSynonyms
7(((5((13benzodioxol5yloxy)methyl)4phenyl4H124triazol3yl)sulfanyl)methyl)456trimethoxy2benzofuran1(3H)one
7((5(13benzodioxol5yloxymethyl)4phenyl124triazol3yl)sulfanylmethyl)456trimethoxy3H2benzofuran1one
COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC6=C(C=C5)OCO6)OC)OC
InChI=1SC28H25N3O8Sc1332418123727(32)23(18)19(25(342)26(24)353)144028302922(31(28)167546816)1336179102021(1117)39153820h411H1215H213H3
MFCD09064602
ZINC000100233854
ZINC100233854
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