Vitas-M small molecule compound
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK567943
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NNc3[nH+]c4c(n3C)c(=O)n(c(=O)n4C)C)/C2=O)[O-])ccc1OC
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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 C23H26N8O7 MW 526.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N8O7/c1-28-16-17(29(2)23(36)30(3)20(16)34)25-21(28)27-24-11-13-18(32)26-22(35)31(19(13)33)9-8-12-6-7-14(37-4)15(10-12)38-5/h6-7,10-11,24H,8-9H2,1-5H3,(H,25,27)(H,26,32,35)/b13-11-InChIKey
JCLFRISYTXQNPF-QBFSEMIESA-NSynonyms
(5Z)1(2(34dimethoxyphenyl)ethyl)26dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1256tetrahydropyrimidin4olate
(5Z)1(2(34dimethoxyphenyl)ethyl)5((2(137trimethyl26dioxopurin8yl)hydrazinyl)methylidene)13diazinane246trione
CN1C2=C(N=C1NNC=C3C(=O)NC(=O)N(C3=O)CCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C2=O)C)C
COc1cc(CCN2C(=O)N=C(C(=CNNc3(nH+)c4c(n3C)c(=O)n(c(=O)n4C)C)C2=O)(O))ccc1OC
InChI=1SC23H26N8O7c1281617(29(2)23(36)30(3)20(16)34)2521(28)2724111318(32)2622(35)31(19(13)33)98126714(374)15(1012)385h67101124H89H215H3(H2527)(H263235)b1311
MFCD18245186
ZINC000001874127
ZINC1874127
Check stock
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