Vitas-M small molecule compound
8-{2-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-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
STK559941
SMILES O=C1N=C(S)N(C(=O)/C/1=C\NNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)CCC1=CCCCC1
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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 C21H26N8O4S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N8O4S/c1-26-14-15(27(2)21(33)28(3)18(14)32)23-19(26)25-22-11-13-16(30)24-20(34)29(17(13)31)10-9-12-7-5-4-6-8-12/h7,11,22H,4-6,8-10H2,1-3H3,(H,23,25)(H,24,30,34)/b13-11-InChIKey
SOLRYAKLDRMTHA-QBFSEMIESA-NSynonyms
8(2((Z)(1(2(cyclohex1en1yl)ethyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
8(2((Z)(1(2(cyclohexen1yl)ethyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)hydrazinyl)137trimethylpurine26dione
CN1C2=C(N=C1NNC=C3C(=O)NC(=S)N(C3=O)CCC4=CCCCC4)N(C(=O)N(C2=O)C)C
InChI=1SC21H26N8O4Sc1261415(27(2)21(33)28(3)18(14)32)2319(26)2522111316(30)2420(34)29(17(13)31)109127546812h71122H46810H213H3(H2325)(H243034)b1311
MFCD04072866
O=C1N=C(S)N(C(=O)C1=CNNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)CCC1=CCCCC1
ZINC000009311946
ZINC9311946
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