Vitas-M small molecule compound
(5Z)-1-(4-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
STK569276
SMILES Cc1ccc(cc1)N1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]
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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/c1-10-5-7-11(8-6-10)28-16(30)12(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)/b12-9-InChIKey
PBCQWKJVXBJETF-XFXZXTDPSA-NSynonyms
(5Z)1(4methylphenyl)46dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1456tetrahydropyrimidine2thiolate
137TRIMETHYL8(2((Z)(1(4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)HYDRAZINYL)PURINE26DIONE
8(N(46DIOXO2THIOXO1PTOLYLTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)HYDRAZINO)137TRIMETHYL37DIHYDROPURINE26DIONE
CC1=CC=C(C=C1)N2C(=O)C(=CNNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C(=O)NC2=S
Cc1ccc(cc1)N1C(=NC(=O)C(=CNNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)C)C1=O)(S)
InChI=1SC20H20N8O4Sc1105711(8610)2816(30)12(15(29)2319(28)33)9212418221413(25(18)2)17(31)27(4)20(32)26(14)3h5921H14H3(H2224)(H232933)b129
MFCD18245279
ZINC000009292744
ZINC09292744
ZINC17246013
ZINC9292744
Check stock
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Check stock on Vitas-MAvailable files
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