Vitas-M small molecule compound
methyl 2-{[6-hydroxy-7-(2-methoxyethyl)-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}propanoate
Catalog ID
STK637293
SMILES COCCn1c(SC(C(=O)OC)C)nc2c1c(O)nc(=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 C13H18N4O5S MW 342.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O5S/c1-7(11(19)22-4)23-13-14-9-8(17(13)5-6-21-3)10(18)15-12(20)16(9)2/h7H,5-6H2,1-4H3,(H,15,18,20)InChIKey
GTCLBKFCENRVFG-UHFFFAOYSA-NSynonyms
333769-03-2333769032
CC(C(=O)OC)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C
InChI=1SC13H18N4O5Sc17(11(19)224)23131498(17(13)56213)10(18)1512(20)16(9)2h7H56H214H3(H151820)
methyl2((6hydroxy7(2methoxyethyl)3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)propanoate
METHYL2(7(2METHOXYETHYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOATE
METHYL2(7(2METHOXYETHYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOATE
MFCD18161331
ZINC000012647497
ZINC000012647499
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.