Vitas-M small molecule compound
7-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Catalog ID
STK665911
SMILES COc1c(CSc2nnc(n2c2ccccc2)C2COc3c(O2)cccc3)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 C28H25N3O7S MW 547.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O7S/c1-33-23-17-13-37-27(32)22(17)18(24(34-2)25(23)35-3)15-39-28-30-29-26(31(28)16-9-5-4-6-10-16)21-14-36-19-11-7-8-12-20(19)38-21/h4-12,21H,13-15H2,1-3H3InChIKey
RWUMRYDXNVCOTP-UHFFFAOYSA-NSynonyms
7(((5(23dihydro14benzodioxin2yl)4phenyl4H124triazol3yl)sulfanyl)methyl)456trimethoxy2benzofuran1(3H)one
7((5(23dihydro14benzodioxin3yl)4phenyl124triazol3yl)sulfanylmethyl)456trimethoxy3H2benzofuran1one
COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5COC6=CC=CC=C6O5)OC)OC
InChI=1SC28H25N3O7Sc1332317133727(32)22(17)18(24(342)25(23)353)153928302926(31(28)1695461016)2114361911781220(19)3821h41221H1315H213H3
MFCD12034089
ZINC000100241390
ZINC000100241395
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