Vitas-M small molecule compound
methyl [8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
Catalog ID
STK937440
SMILES COC(=O)Cn1c(=O)n(C)c2c(c1=O)n(CCc1ccccc1)c(n2)n1nc(cc1C)C
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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 C22H24N6O4 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O4/c1-14-12-15(2)28(24-14)21-23-19-18(26(21)11-10-16-8-6-5-7-9-16)20(30)27(13-17(29)32-4)22(31)25(19)3/h5-9,12H,10-11,13H2,1-4H3InChIKey
ZVDQAXXBXRTRHK-UHFFFAOYSA-NSynonyms
1014012-37-31014012373
CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)OC)C
InChI=1SC22H24N6O4c1141215(2)28(2414)21231918(26(21)1110168657916)20(30)27(1317(29)324)22(31)25(19)3h5912H101113H214H3
methyl(8(35dimethyl1Hpyrazol1yl)3methyl26dioxo7(2phenylethyl)2367tetrahydro1Hpurin1yl)acetate
methyl2(8(35dimethyl1Hpyrazol1yl)3methyl26dioxo7phenethyl2367tetrahydro1Hpurin1yl)acetate
methyl2(8(35dimethylpyrazol1yl)3methyl26dioxo7(2phenylethyl)purin1yl)acetate
METHYL2(8(35DIMETHYLPYRAZOLYL)3METHYL26DIOXO7(2PHENYLETHYL)137TRIHYDROPURINYL)ACETATE
MFCD09978165
ZINC000012231828
ZINC12231828
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