Vitas-M small molecule compound

7-(2-chloro-6-fluorobenzyl)-3,9-dimethyl-1-(2-methylprop-2-en-1-yl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione

Catalog ID
STL011119
SMILES CC(=C)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl

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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 C20H20ClFN6O2 MW 430.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClFN6O2/c1-11(2)8-28-19-23-17-16(26(19)9-12(3)24-28)18(29)27(20(30)25(17)4)10-13-14(21)6-5-7-15(13)22/h5-7H,1,8-10H2,2-4H3
InChIKey
XFBCEXPSMIPRPC-UHFFFAOYSA-N
Synonyms
920471-81-4
7((2chloro6fluorophenyl)methyl)39dimethyl1(2methylprop2enyl)4Hpurino(87c)(124)triazine68dione
7((6CHLORO2FLUOROPHENYL)METHYL)39DIMETHYL1(2METHYLPROP2ENYL)579TRIHYDRO4H124TRIAZINO(43H)PURINE68DIONE
7(2chloro6fluorobenzyl)39dimethyl1(2methylallyl)79dihydro(124)triazino(34f)purine68(1H4H)dione
7(2chloro6fluorobenzyl)39dimethyl1(2methylprop2en1yl)14dihydro(124)triazino(34f)purine68(7H9H)dione
920471814
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=C(C=CC=C4Cl)F)CC(=C)C
InChI=1SC20H20ClFN6O2c111(2)82819231716(26(19)912(3)2428)18(29)27(20(30)25(17)4)101314(21)65715(13)22h57H1810H224H3
MFCD08749098
ZINC000009060448
ZINC09060448
ZINC9060448

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Available files

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