Vitas-M small molecule compound

(2E)-2-(4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-methoxybenzylidene)hydrazinecarboxamide

Catalog ID
STL380646
SMILES COc1cc(/C=N/NC(=O)N)ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C

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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 C23H21Cl2N7O5 MW 546.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21Cl2N7O5/c1-30-19-18(20(33)31(2)23(30)35)32(11-13-5-6-14(24)9-15(13)25)22(28-19)37-16-7-4-12(8-17(16)36-3)10-27-29-21(26)34/h4-10H,11H2,1-3H3,(H3,26,29,34)/b27-10+
InChIKey
CYYYKHZHOJULBJ-YPXUMCKCSA-N
Synonyms
((E)(4(7((24dichlorophenyl)methyl)13dimethyl26dioxopurin8yl)oxy3methoxyphenyl)methylideneamino)urea
(2E)2(4((7(24dichlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)3methoxybenzylidene)hydrazinecarboxamide
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)C=NNC(=O)N)OC)CC4=C(C=C(C=C4)Cl)Cl
COc1cc(C=NNC(=O)N)ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C
Registry IDs
MFCD05149710
ZINC000001105190
ZINC104582873

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Available files

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