Vitas-M small molecule compound
8-{2-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]hydrazinyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL149504
SMILES O=C1N=C(S)N(C(=O)/C/1=C\NNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)c1ccccc1
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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 C19H18N8O4S MW 454.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N8O4S/c1-24-12-13(25(2)19(31)26(3)16(12)30)21-17(24)23-20-9-11-14(28)22-18(32)27(15(11)29)10-7-5-4-6-8-10/h4-9,20H,1-3H3,(H,21,23)(H,22,28,32)/b11-9-InChIKey
OHGDZAWCGHSJEP-LUAWRHEFSA-NSynonyms
8(2((Z)(46dioxo1phenyl2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
8(2((Z)(46dioxo1phenyl2sulfanylidene13diazinan5ylidene)methyl)hydrazinyl)137trimethylpurine26dione
8(N(46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)HYDRAZINO)137TRIMETHYL37DIHYDROPURINE26DIONE
CN1C2=C(N=C1NNC=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C
InChI=1SC19H18N8O4Sc1241213(25(2)19(31)26(3)16(12)30)2117(24)232091114(28)2218(32)27(15(11)29)107546810h4920H13H3(H2123)(H222832)b119
MFCD04073153
ZINC000009311976
ZINC9311976
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