Vitas-M small molecule compound
2-[3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL444775
SMILES S=c1[nH]nc(n1c1ccccc1)CCCn1c(=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 C23H18N4O2S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O2S/c28-21-17-11-4-7-15-8-5-12-18(20(15)17)22(29)26(21)14-6-13-19-24-25-23(30)27(19)16-9-2-1-3-10-16/h1-5,7-12H,6,13-14H2,(H,25,30)InChIKey
PNZRJHIHYPOQGV-UHFFFAOYSA-NSynonyms
302949-22-02(3(4PHENYL5SULFANYLIDENE1H124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
2(3(4PHENYL5THIOXO1H124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13QUINONE
2(3(4phenyl5thioxo45dihydro1H124triazol3yl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
302949220
C1=CC=C(C=C1)N2C(=NNC2=S)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC23H18N4O2Sc282117114715851218(20(15)17)22(29)26(21)1461319242523(30)27(19)1692131016h15712H61314H2(H2530)
MFCD01918544
S=c1(nH)nc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3
ZINC000013400536
ZINC13400536
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