Vitas-M small molecule compound
(5Z)-1-(4-methoxyphenyl)-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
STL054701
SMILES COc1ccc(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 C20H20N8O5S MW 484.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N8O5S/c1-25-13-14(26(2)20(32)27(3)17(13)31)22-18(25)24-21-9-12-15(29)23-19(34)28(16(12)30)10-5-7-11(33-4)8-6-10/h5-9,21H,1-4H3,(H,22,24)(H,23,29,34)/b12-9-InChIKey
SDSUAEBRJNCDKR-XFXZXTDPSA-NSynonyms
(5Z)1(4methoxyphenyl)46dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1456tetrahydropyrimidine2thiolate
8(2((Z)(1(4methoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)hydrazinyl)137trimethylpurine26dione
CN1C2=C(N=C1NNC=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C
COc1ccc(cc1)N1C(=NC(=O)C(=CNNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)C)C1=O)(S)
InChI=1SC20H20N8O5Sc1251314(26(2)20(32)27(3)17(13)31)2218(25)242191215(29)2319(34)28(16(12)30)105711(334)8610h5921H14H3(H2224)(H232934)b129
MFCD18249623
ZINC000013175085
ZINC13175085
Check stock
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