Vitas-M small molecule compound

(5Z)-1-(3-chlorophenyl)-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
STL048584
SMILES Clc1cccc(c1)N1C(=O)N=C(/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[O-]

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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 C19H17ClN8O5 MW 472.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN8O5/c1-25-12-13(26(2)19(33)27(3)16(12)31)22-17(25)24-21-8-11-14(29)23-18(32)28(15(11)30)10-6-4-5-9(20)7-10/h4-8,21H,1-3H3,(H,22,24)(H,23,29,32)/b11-8-
InChIKey
MPTMMOPZXLFNHK-FLIBITNWSA-N
Synonyms

(5Z)1(3chlorophenyl)26dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1256tetrahydropyrimidin4olate
(5Z)1(3chlorophenyl)5((2(137trimethyl26dioxopurin8yl)hydrazinyl)methylidene)13diazinane246trione
Clc1cccc(c1)N1C(=O)N=C(C(=CNNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)C)C1=O)(O)
CN1C2=C(N=C1NNC=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)N(C(=O)N(C2=O)C)C
InChI=1SC19H17ClN8O5c1251213(26(2)19(33)27(3)16(12)31)2217(25)242181114(29)2318(32)28(15(11)30)106459(20)710h4821H13H3(H2224)(H232932)b118
MFCD18249207
ZINC000009293004
ZINC9293004

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Available files

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