Vitas-M small molecule compound
2-{5-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]pentyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL012021
SMILES CCSc1nnc(o1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-2-28-21-23-22-17(27-21)12-4-3-5-13-24-19(25)15-10-6-8-14-9-7-11-16(18(14)15)20(24)26/h6-11H,2-5,12-13H2,1H3InChIKey
DORMAFXLBUEVLS-UHFFFAOYSA-NSynonyms
2(5(5(ethylsulfanyl)134oxadiazol2yl)pentyl)1Hbenzo(de)isoquinoline13(2H)dione
2(5(5ethylsulfanyl134oxadiazol2yl)pentyl)benzo(de)isoquinoline13dione
CCSC1=NN=C(O1)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
InChI=1SC21H21N3O3Sc122821232217(2721)12435132419(25)15106814971116(18(14)15)20(24)26h611H251213H21H3
MFCD18074552
ZINC000051353965
ZINC51353965
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