Vitas-M small molecule compound
6-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294623
SMILES S=C1NC(=O)C(=CNc2ccc3c4c2cccc4c(=O)n(c3=O)C)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 C18H12N4O4S MW 380.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O4S/c1-22-16(25)9-4-2-3-8-12(6-5-10(13(8)9)17(22)26)19-7-11-14(23)20-18(27)21-15(11)24/h2-7,19H,1H3,(H2,20,21,23,24,27)InChIKey
UIBSTXMUFGPAGJ-UHFFFAOYSA-NSynonyms
6(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)2methyl1Hbenzo(de)isoquinoline13(2H)dione
6((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)2methylbenzo(de)isoquinoline13dione
CN1C(=O)C2=C3C(=C(C=C2)NC=C4C(=O)NC(=S)NC4=O)C=CC=C3C1=O
InChI=1SC18H12N4O4Sc12216(25)9423812(6510(13(8)9)17(22)26)1971114(23)2018(27)2115(11)24h2719H1H3(H22021232427)
MFCD00697222
ZINC000095470742
ZINC95470742
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