Vitas-M small molecule compound
3-{[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STL324349
SMILES CC(CCn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)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 C14H20N4O4S MW 340.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O4S/c1-8(2)4-6-18-10-11(17(3)13(22)16-12(10)21)15-14(18)23-7-5-9(19)20/h8H,4-7H2,1-3H3,(H,19,20)(H,16,21,22)InChIKey
QXCWGGHMZUIVRZ-UHFFFAOYSA-NSynonyms
313530-86-83((3methyl7(3methylbutyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7isopentyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(3METHYL7(3METHYLBUTYL)26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOICACID
3(3METHYL7(3METHYLBUTYL)26DIOXOPURIN8YL)SULFANYLPROPANOICACID
313530868
CC(C)CCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C
CC(CCn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C)C
InChI=1SC14H20N4O4Sc18(2)46181011(17(3)13(22)1612(10)21)1514(18)23759(19)20h8H47H213H3(H1920)(H162122)
MFCD00653130
ZINC000000041579
ZINC41579
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