Vitas-M small molecule compound
2-[3-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807886
SMILES Cn1c(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 C26H22N4O5S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O5S/c1-29-22(14-33-17-9-10-20-21(13-17)35-15-34-20)27-28-26(29)36-12-4-11-30-24(31)18-7-2-5-16-6-3-8-19(23(16)18)25(30)32/h2-3,5-10,13H,4,11-12,14-15H2,1H3InChIKey
UMXGRJBKMPQJDC-UHFFFAOYSA-NSynonyms
897830-96-52(3((5((13benzodioxol5yloxy)methyl)4methyl4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((5((BENZO(D)(13)DIOXOL5YLOXY)METHYL)4METHYL4H124TRIAZOL3YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3((5(13benzodioxol5yloxymethyl)4methyl124triazol3yl)sulfanyl)propyl)benzo(de)isoquinoline13dione
897830965
CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)COC5=CC6=C(C=C5)OCO6
InChI=1SC26H22N4O5Sc12922(1433179102021(1317)35153420)272826(29)36124113024(31)187251663819(23(16)18)25(30)32h2351013H411121415H21H3
MFCD06750972
ZINC000010382303
ZINC10382303
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