Vitas-M small molecule compound
methyl {7-[(2E)-but-2-en-1-yl]-3,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl}acetate
Catalog ID
STK853851
SMILES C/C=C/Cn1c(=O)n(C)c2c(c1=O)n1CC(=NN(c1n2)CC(=O)OC)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 C16H20N6O4 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N6O4/c1-5-6-7-20-14(24)12-13(19(3)16(20)25)17-15-21(12)8-10(2)18-22(15)9-11(23)26-4/h5-6H,7-9H2,1-4H3/b6-5+InChIKey
WNKRJHXRACWQTG-AATRIKPKSA-NSynonyms
929815-03-2(E)methyl2(7(but2en1yl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetate
929815032
CC=CCN1C(=O)C2=C(N=C3N2CC(=NN3CC(=O)OC)C)N(C1=O)C
CC=CCn1c(=O)n(C)c2c(c1=O)n1CC(=NN(c1n2)CC(=O)OC)C
InChI=1SC16H20N6O4c15672014(24)1213(19(3)16(20)25)171521(12)810(2)1822(15)911(23)264h56H79H214H3b65+
methyl(7((2E)but2en1yl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetate
METHYL2(7((2E)BUT2ENYL)39DIMETHYL68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETATE
methyl2(7((E)but2enyl)39dimethyl68dioxo4Hpurino(87c)(124)triazin1yl)acetate
MFCD08542680
ZINC000009059874
ZINC09059874
ZINC9059874
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