Vitas-M small molecule compound

2-{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}acetamide

Catalog ID
STL011373
SMILES NC(=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 C20H21N7O3 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O3/c1-13-11-26-16-17(22-19(26)27(23-13)12-15(21)28)24(2)20(30)25(18(16)29)10-6-9-14-7-4-3-5-8-14/h3-9H,10-12H2,1-2H3,(H2,21,28)/b9-6+
InChIKey
SFQFEHGMZPPWIA-RMKNXTFCSA-N
Synonyms
929852-00-6
(E)2(7cinnamyl39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetamide
2(39dimethyl68dioxo7((2E)3phenylprop2en1yl)6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetamide
2(39dimethyl68dioxo7((E)3phenylprop2enyl)4Hpurino(87c)(124)triazin1yl)acetamide
2(7((2E)3PHENYLPROP2ENYL)39DIMETHYL68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETAMIDE
929852006
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=CC4=CC=CC=C4)CC(=O)N
InChI=1SC20H21N7O3c11311261617(2219(26)27(2313)1215(21)28)24(2)20(30)25(18(16)29)1069147435814h39H1012H212H3(H22128)b96+
MFCD08750272
NC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC=Cc1ccccc1
ZINC000009419266
ZINC09419266
ZINC9419266

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Available files

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