Vitas-M small molecule compound
dimethyl 5-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzene-1,3-dicarboxylate
Catalog ID
STL362987
SMILES COC(=O)c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(c1)C(=O)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 C19H19N5O7 MW 429.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O7/c1-22-15-14(16(26)23(2)19(22)29)24(9-20-15)8-13(25)21-12-6-10(17(27)30-3)5-11(7-12)18(28)31-4/h5-7,9H,8H2,1-4H3,(H,21,25)InChIKey
GCWJNBYIPXYYRL-UHFFFAOYSA-NSynonyms
332117-27-8332117278
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC
dimethyl5(((13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetyl)amino)benzene13dicarboxylate
DIMETHYL5((2(13DIMETHYL26DIOXOPURIN7YL)ACETYL)AMINO)BENZENE13DICARBOXYLATE
dimethyl5(2(13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetamido)isophthalate
InChI=1SC19H19N5O7c1221514(16(26)23(2)19(22)29)24(92015)813(25)2112610(17(27)303)511(712)18(28)314h579H8H214H3(H2125)
MFCD01993435
ZINC000000851777
ZINC00851777
ZINC851777
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