Vitas-M small molecule compound
methyl 4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Catalog ID
STL380348
SMILES C=CCn1c(Oc2ccc(cc2)C(=O)OC)nc2c1c(=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 C18H18N4O5 MW 370.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5/c1-5-10-22-13-14(20(2)18(25)21(3)15(13)23)19-17(22)27-12-8-6-11(7-9-12)16(24)26-4/h5-9H,1,10H2,2-4H3InChIKey
KBPCDBABQVWNFH-UHFFFAOYSA-NSynonyms
4((13DIMETHYL26DIOXO7PROP2ENYL8PURINYL)OXY)BENZOICACIDMETHYLESTER
4(7ALLYL26DIKETO13DIMETHYLPURIN8YL)OXYBENZOICACIDMETHYLESTER
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C(=O)OC)CC=C
InChI=1SC18H18N4O5c1510221314(20(2)18(25)21(3)15(13)23)1917(22)27128611(7912)16(24)264h59H110H224H3
methyl4((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)oxy)benzoate
METHYL4(13DIMETHYL26BIS(OXIDANYLIDENE)7PROP2ENYLPURIN8YL)OXYBENZOATE
METHYL4(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)OXYBENZOATE
MFCD03079585
ZINC000000802638
ZINC00802638
ZINC802638
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