Vitas-M small molecule compound
[7-(2-fluorobenzyl)-3,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]acetic acid
Catalog ID
STK629193
SMILES OC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F
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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 C18H17FN6O4 MW 400.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17FN6O4/c1-10-7-23-14-15(20-17(23)25(21-10)9-13(26)27)22(2)18(29)24(16(14)28)8-11-5-3-4-6-12(11)19/h3-6H,7-9H2,1-2H3,(H,26,27)InChIKey
QTTLOPNFIHHTNI-UHFFFAOYSA-NSynonyms
923498-44-6(7(2fluorobenzyl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
2(7((2fluorophenyl)methyl)39dimethyl68dioxo4Hpurino(87c)(124)triazin1yl)aceticacid
2(7((2FLUOROPHENYL)METHYL)39DIMETHYL68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETICACID
2(7(2fluorobenzyl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)aceticacid
923498446
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F)CC(=O)O
InChI=1SC18H17FN6O4c1107231415(2017(23)25(2110)913(26)27)22(2)18(29)24(16(14)28)811534612(11)19h36H79H212H3(H2627)
MFCD08999321
ZINC000008991963
ZINC8991963
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