Vitas-M small molecule compound

4-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl]-2,6-dimethoxyphenyl acetate

Catalog ID
STK022847
SMILES COc1cc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(c1OC(=O)C)OC

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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 C20H22N6O7 MW 458.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O7/c1-11(27)33-17-13(31-4)6-12(7-14(17)32-5)8-22-23-15(28)9-26-10-21-18-16(26)19(29)25(3)20(30)24(18)2/h6-8,10H,9H2,1-5H3,(H,23,28)/b22-8+
InChIKey
FAVUAKQZKPPYEO-GZIVZEMBSA-N
Synonyms

(4((E)((2(13dimethyl26dioxopurin7yl)acetyl)hydrazinylidene)methyl)26dimethoxyphenyl)acetate
4((1E)2(2(13DIMETHYL26DIOXO(137TRIHYDROPURIN7YL))ACETYLAMINO)2AZAVINYL)26DIMETHOXYPHENYLACETATE
4((E)(2((13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetyl)hydrazinylidene)methyl)26dimethoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC
COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(c1OC(=O)C)OC
InChI=1SC20H22N6O7c111(27)331713(314)612(714(17)325)8222315(28)92610211816(26)19(29)25(3)20(30)24(18)2h6810H9H215H3(H2328)b228+
MFCD02668320
STK022847
ZINC000001105477
ZINC33305880

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Available files

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