Vitas-M small molecule compound
3-({7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
Catalog ID
STK528325
SMILES OC(Cn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C
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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 C19H22N4O6S MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O6S/c1-11-5-3-4-6-13(11)29-10-12(24)9-23-15-16(22(2)18(28)21-17(15)27)20-19(23)30-8-7-14(25)26/h3-6,12,24H,7-10H2,1-2H3,(H,25,26)(H,21,27,28)InChIKey
INUPMHUUOBCEPR-UHFFFAOYSA-NSynonyms
332103-71-63((7(2hydroxy3(2methylphenoxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7(2hydroxy3(otolyloxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOICACID
3(7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
332103716
CC1=CC=CC=C1OCC(CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C)O
InChI=1SC19H22N4O6Sc111534613(11)291012(24)9231516(22(2)18(28)2117(15)27)2019(23)308714(25)26h361224H710H212H3(H2526)(H212728)
MFCD01879874
OC(Cn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1C
ZINC000002275338
ZINC000002275339
Check stock
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Check stock on Vitas-MAvailable files
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