Vitas-M small molecule compound
2-[2-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK837237
SMILES S=c1[nH]nc(n1c1ccccc1)CCn1c(=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 C22H16N4O2S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O2S/c27-20-16-10-4-6-14-7-5-11-17(19(14)16)21(28)25(20)13-12-18-23-24-22(29)26(18)15-8-2-1-3-9-15/h1-11H,12-13H2,(H,24,29)InChIKey
AYAUBWSUZRFVQO-UHFFFAOYSA-NSynonyms
314261-91-12(2(4PHENYL5SULFANYLIDENE1H124TRIAZOL3YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2(4phenyl5thioxo45dihydro1H124triazol3yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
314261911
C1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC22H16N4O2Sc272016104614751117(19(14)16)21(28)25(20)131218232422(29)26(18)158213915h111H1213H2(H2429)
MFCD02108505
S=c1(nH)nc(n1c1ccccc1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3
ZINC000006400002
ZINC06400002
ZINC6400002
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