Vitas-M small molecule compound
(5Z)-1-(3-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
STL048094
SMILES Cc1cccc(c1)N1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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/c1-10-6-5-7-11(8-10)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
RRMOQFMMZFHSAG-XFXZXTDPSA-NSynonyms
(5Z)1(3methylphenyl)46dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1456tetrahydropyrimidine2thiolate
137TRIMETHYL8(2((Z)(1(3METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)HYDRAZINYL)PURINE26DIONE
8(N(46DIOXO2THIOXO1MTOLYLTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)HYDRAZINO)137TRIMETHYL37DIHYDROPURINE26DIONE
CC1=CC(=CC=C1)N2C(=O)C(=CNNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C(=O)NC2=S
Cc1cccc(c1)N1C(=NC(=O)C(=CNNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)C)C1=O)(S)
InChI=1SC20H20N8O4Sc11065711(810)2816(30)12(15(29)2319(28)33)9212418221413(25(18)2)17(31)27(4)20(32)26(14)3h5921H14H3(H2224)(H232933)b129
MFCD18249171
ZINC000008682631
ZINC8682631
Check stock
See real-time availability and sample size for STL048094 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.