Vitas-M small molecule compound
pentyl ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Catalog ID
STK867872
SMILES CCCCCOC(=O)CSc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)[nH]c(=O)n2C
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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 C26H30N4O6S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O6S/c1-3-4-7-13-35-21(32)16-37-26-27-23-22(24(33)28-25(34)29(23)2)30(26)14-18(31)15-36-20-12-8-10-17-9-5-6-11-19(17)20/h5-6,8-12,18,31H,3-4,7,13-16H2,1-2H3,(H,28,33,34)InChIKey
HKUMEDOYHUAFKV-UHFFFAOYSA-NSynonyms
303970-56-1303970561
CCCCCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C
CCCCCOC(=O)CSc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)(nH)c(=O)n2C
InChI=1SC26H30N4O6Sc1347133521(32)163726272322(24(33)2825(34)29(23)2)30(26)1418(31)15362012810179561119(17)20h568121831H3471316H212H3(H283334)
MFCD01142809
pentyl((7(2hydroxy3(naphthalen1yloxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
pentyl2((7(2hydroxy3(naphthalen1yloxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
PENTYL2(7(2HYDROXY3NAPHTHALEN1YLOXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
ZINC000006149681
ZINC000006149682
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