Vitas-M small molecule compound
methyl {3,9-dimethyl-6,8-dioxo-7-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl}acetate
Catalog ID
STK618784
SMILES COC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)C/C=C/c1ccccc1
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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 C21H22N6O4 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4/c1-14-12-26-17-18(22-20(26)27(23-14)13-16(28)31-3)24(2)21(30)25(19(17)29)11-7-10-15-8-5-4-6-9-15/h4-10H,11-13H2,1-3H3/b10-7+InChIKey
ZBUGOGJVNRLIQE-JXMROGBWSA-NSynonyms
929852-73-3(E)methyl2(7cinnamyl39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetate
929852733
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=CC4=CC=CC=C4)CC(=O)OC
COC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC=Cc1ccccc1
InChI=1SC21H22N6O4c11412261718(2220(26)27(2314)1316(28)313)24(2)21(30)25(19(17)29)11710158546915h410H1113H213H3b107+
methyl(39dimethyl68dioxo7((2E)3phenylprop2en1yl)6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetate
methyl2(39dimethyl68dioxo7((E)3phenylprop2enyl)4Hpurino(87c)(124)triazin1yl)acetate
METHYL2(7((2E)3PHENYLPROP2ENYL)39DIMETHYL68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETATE
MFCD08750725
ZINC000009419795
ZINC09419795
ZINC9419795
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