Vitas-M small molecule compound
methyl [7-(2-chloro-6-fluorobenzyl)-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
STK628193
SMILES COC(=O)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 C19H18ClFN6O4 MW 448.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClFN6O4/c1-10-7-25-15-16(22-18(25)27(23-10)9-14(28)31-3)24(2)19(30)26(17(15)29)8-11-12(20)5-4-6-13(11)21/h4-6H,7-9H2,1-3H3InChIKey
NMKLPDIWJVCTLH-UHFFFAOYSA-NSynonyms
921167-42-2921167422
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=C(C=CC=C4Cl)F)CC(=O)OC
InChI=1SC19H18ClFN6O4c1107251516(2218(25)27(2310)914(28)313)24(2)19(30)26(17(15)29)81112(20)54613(11)21h46H79H213H3
methyl(7(2chloro6fluorobenzyl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetate
methyl2(7((2chloro6fluorophenyl)methyl)39dimethyl68dioxo4Hpurino(87c)(124)triazin1yl)acetate
METHYL2(7((2CHLORO6FLUOROPHENYL)METHYL)39DIMETHYL68DIOXO579TRIHYDRO4H124TRIAZINO(43H)PURINYL)ACETATE
methyl2(7(2chloro6fluorobenzyl)39dimethyl68dioxo6789tetrahydro(124)triazino(34f)purin1(4H)yl)acetate
MFCD08745809
ZINC000009059927
ZINC09059927
ZINC9059927
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