Vitas-M small molecule compound
methyl [7-benzyl-3-methyl-2,6-dioxo-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
Catalog ID
STK941357
SMILES COC(=O)Cn1c(=O)c2n(Cc3ccccc3)c(nc2n(c1=O)C)n1nc(c(c1C)C)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/c1-13-14(2)24-28(15(13)3)21-23-19-18(26(21)11-16-9-7-6-8-10-16)20(30)27(12-17(29)32-5)22(31)25(19)4/h6-10H,11-12H2,1-5H3InChIKey
HMKLCZWCRNHOET-UHFFFAOYSA-NSynonyms
1014011-56-31014011563
CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)OC)C
InChI=1SC22H24N6O4c11314(2)2428(15(13)3)21231918(26(21)111697681016)20(30)27(1217(29)325)22(31)25(19)4h610H1112H215H3
methyl(7benzyl3methyl26dioxo8(345trimethyl1Hpyrazol1yl)2367tetrahydro1Hpurin1yl)acetate
methyl2(7benzyl3methyl26dioxo8(345trimethyl1Hpyrazol1yl)2367tetrahydro1Hpurin1yl)acetate
methyl2(7benzyl3methyl26dioxo8(345trimethylpyrazol1yl)purin1yl)acetate
MFCD09978248
ZINC000012232047
ZINC12232047
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