Vitas-M small molecule compound
{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}acetic acid
Catalog ID
STL010496
SMILES OC(=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 C20H20N6O4 MW 408.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O4/c1-13-11-25-16-17(21-19(25)26(22-13)12-15(27)28)23(2)20(30)24(18(16)29)10-6-9-14-7-4-3-5-8-14/h3-9H,10-12H2,1-2H3,(H,27,28)/b9-6+InChIKey
JRHYJNQLLFFAER-RMKNXTFCSA-NSynonyms
929837-12-7(39dimethyl68dioxo7((2E)3phenylprop2en1yl)6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
(E)2(7cinnamyl39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
2(39dimethyl68dioxo7((E)3phenylprop2enyl)4Hpurino(87c)(124)triazin1yl)aceticacid
2(7((2E)3PHENYLPROP2ENYL)39DIMETHYL68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETICACID
929837127
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=CC4=CC=CC=C4)CC(=O)O
InChI=1SC20H20N6O4c11311251617(2119(25)26(2213)1215(27)28)23(2)20(30)24(18(16)29)1069147435814h39H1012H212H3(H2728)b96+
MFCD09000437
OC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC=Cc1ccccc1
ZINC000008990906
ZINC8990906
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