Vitas-M small molecule compound
2-{5-[4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]pentyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL360886
SMILES C=CCn1c(CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)n[nH]c1=S
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-2-13-25-18(23-24-22(25)29)12-4-3-5-14-26-20(27)16-10-6-8-15-9-7-11-17(19(15)16)21(26)28/h2,6-11H,1,3-5,12-14H2,(H,24,29)InChIKey
SELZTNGSHICMNL-UHFFFAOYSA-NSynonyms
315239-27-12(5(4(prop2en1yl)5thioxo45dihydro1H124triazol3yl)pentyl)1Hbenzo(de)isoquinoline13(2H)dione
2(5(4ALLYL5THIOXO45DIHYDRO1H124TRIAZOL3YL)PENTYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(5(4PROP2ENYL5SULFANYLIDENE1H124TRIAZOL3YL)PENTYL)BENZO(DE)ISOQUINOLINE13DIONE
C=CCN1C(=NNC1=S)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
C=CCn1c(CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)n(nH)c1=S
InChI=1SC22H22N4O2Sc12132518(232422(25)29)12435142620(27)16106815971117(19(15)16)21(26)28h2611H1351214H2(H2429)
MFCD02164588
ZINC000004176480
ZINC04176480
ZINC4176480
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