Vitas-M small molecule compound
2-[3-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807859
SMILES COc1ccc(cc1)n1c(SCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1COc1ccc2c(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 C32H26N4O6S MW 594.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O6S/c1-39-22-11-9-21(10-12-22)36-28(18-40-23-13-14-26-27(17-23)42-19-41-26)33-34-32(36)43-16-4-15-35-30(37)24-7-2-5-20-6-3-8-25(29(20)24)31(35)38/h2-3,5-14,17H,4,15-16,18-19H2,1H3InChIKey
VNOUDMNTUDSDEV-UHFFFAOYSA-NSynonyms
2(3((5((13benzodioxol5yloxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((5(13benzodioxol5yloxymethyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)propyl)benzo(de)isoquinoline13dione
COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)COC6=CC7=C(C=C6)OCO7
InChI=1SC32H26N4O6Sc1392211921(101222)3628(18402313142627(1723)42194126)333432(36)43164153530(37)247252063825(29(20)24)31(35)38h2351417H415161819H21H3
MFCD07807849
ZINC000097993284
ZINC97993284
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