Vitas-M small molecule compound
(5Z)-1-(2-methylphenyl)-4,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STK569768
SMILES O=C1N=C([S-])N(C(=O)/C/1=C\NNc1[nH+]c2c(n1C)c(=O)n(c(=O)n2C)C)c1ccccc1C
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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 C20H20N8O4S MW 468.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N8O4S/c1-10-7-5-6-8-12(10)28-16(30)11(15(29)23-19(28)33)9-21-24-18-22-14-13(25(18)2)17(31)27(4)20(32)26(14)3/h5-9,21H,1-4H3,(H,22,24)(H,23,29,33)/b11-9-InChIKey
FBTHGRKYCPQOEI-LUAWRHEFSA-NSynonyms
(5Z)1(2methylphenyl)46dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1456tetrahydropyrimidine2thiolate
137TRIMETHYL8(2((Z)(1(2METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)HYDRAZINYL)PURINE26DIONE
8(N(46DIOXO2THIOXO1OTOLYLTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)HYDRAZINO)137TRIMETHYL37DIHYDROPURINE26DIONE
CC1=CC=CC=C1N2C(=O)C(=CNNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C(=O)NC2=S
InChI=1SC20H20N8O4Sc110756812(10)2816(30)11(15(29)2319(28)33)9212418221413(25(18)2)17(31)27(4)20(32)26(14)3h5921H14H3(H2224)(H232933)b119
MFCD18245320
O=C1N=C((S))N(C(=O)C1=CNNc1(nH+)c2c(n1C)c(=O)n(c(=O)n2C)C)c1ccccc1C
ZINC000008682632
ZINC8682632
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.