Vitas-M small molecule compound
3-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
Catalog ID
STK036278
SMILES CCCn1c(SCCC(=O)O)nc2c1c(=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 C12H16N4O4S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O4S/c1-3-5-16-8-9(15(2)11(20)14-10(8)19)13-12(16)21-6-4-7(17)18/h3-6H2,1-2H3,(H,17,18)(H,14,19,20)InChIKey
GJOQWJLUCLPHNN-UHFFFAOYSA-NSynonyms
189150-03-63((3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)thio)propanoicacid
3((6HYDROXY3METHYL2OXO7PROPYL37DIHYDRO2HPURIN8YL)SULFANYL)PROPANOICACID
3(3METHYL26DIOXO7PROPYLPURIN8YL)SULFANYLPROPANOICACID
CCCn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C
CCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C
InChI=1SC12H16N4O4Sc1351689(15(2)11(20)1410(8)19)1312(16)21647(17)18h36H212H3(H1718)(H141920)
MFCD01032060
STK036278
ZINC000000310602
ZINC310602
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