Vitas-M small molecule compound
8-{2-[(Z)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]hydrazinyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL147747
SMILES O=C1N=C(S)N(C(=O)/C/1=C\NNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C1CC1
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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 C16H18N8O4S MW 418.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N8O4S/c1-21-9-10(22(2)16(28)23(3)13(9)27)18-14(21)20-17-6-8-11(25)19-15(29)24(12(8)26)7-4-5-7/h6-7,17H,4-5H2,1-3H3,(H,18,20)(H,19,25,29)/b8-6-InChIKey
ZXLTUFAYTPQWEV-VURMDHGXSA-NSynonyms
8(2((Z)(1cyclopropyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
8(2((Z)(1cyclopropyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)hydrazinyl)137trimethylpurine26dione
8(N(1CYCLOPROPYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)HYDRAZINO)137TRIMETHYL37DIHYDROPURINE26DIONE
CN1C2=C(N=C1NNC=C3C(=O)NC(=S)N(C3=O)C4CC4)N(C(=O)N(C2=O)C)C
InChI=1SC16H18N8O4Sc121910(22(2)16(28)23(3)13(9)27)1814(21)20176811(25)1915(29)24(12(8)26)7457h6717H45H213H3(H1820)(H192529)b86
MFCD04080050
O=C1N=C(S)N(C(=O)C1=CNNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C1CC1
ZINC000017197013
ZINC17197013
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