Vitas-M small molecule compound

2-{5-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pentyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK843476
SMILES C=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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-2-14-29-22-24-23-18(28-22)12-4-3-5-13-25-20(26)16-10-6-8-15-9-7-11-17(19(15)16)21(25)27/h2,6-11H,1,3-5,12-14H2
InChIKey
HVDXZIBASMBCTQ-UHFFFAOYSA-N
Synonyms
496028-80-9
2(5(5(ALLYLTHIO)134OXADIAZOL2YL)PENTYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(5(5(prop2en1ylsulfanyl)134oxadiazol2yl)pentyl)1Hbenzo(de)isoquinoline13(2H)dione
2(5(5ALLYLSULFANYL(134)OXADIAZOL2YL)PENTYL)BENZO(DE)ISOQUINOLINE13DIONE
2(5(5PROP2ENYLSULFANYL134OXADIAZOL2YL)PENTYL)BENZO(DE)ISOQUINOLINE13DIONE
496028809
C=CCSC1=NN=C(O1)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
InChI=1SC22H21N3O3Sc12142922242318(2822)12435132520(26)16106815971117(19(15)16)21(25)27h2611H1351214H2
MFCD03298168
ZINC000004279750
ZINC04279750
ZINC4279750

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Available files

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