Vitas-M small molecule compound
6-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-2-phenyl-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294649
SMILES S=C1NC(=O)C(=CNc2ccc3c4c2cccc4c(=O)n(c3=O)c2ccccc2)C(=O)N1
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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 C23H14N4O4S MW 442.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N4O4S/c28-19-16(20(29)26-23(32)25-19)11-24-17-10-9-15-18-13(17)7-4-8-14(18)21(30)27(22(15)31)12-5-2-1-3-6-12/h1-11,24H,(H2,25,26,28,29,32)InChIKey
XVUIDLKFELECGG-UHFFFAOYSA-NSynonyms
6(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)2phenyl1Hbenzo(de)isoquinoline13(2H)dione
6((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)2PHENYLBENZO(DE)ISOQUINOLINE13DIONE
C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)NC=C5C(=O)NC(=S)NC5=O)C=CC=C4C2=O
InChI=1SC23H14N4O4Sc281916(20(29)2623(32)2519)112417109151813(17)74814(18)21(30)27(22(15)31)125213612h11124H(H22526282932)
MFCD00697298
ZINC000003067078
ZINC03067078
ZINC3067078
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