Vitas-M small molecule compound
2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Catalog ID
STL388550
SMILES C=CCn1c(SCC(=O)Nc2ccccc2CC)nc2c1c(=O)n(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 C20H23N5O3S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3S/c1-5-11-25-16-17(23(3)20(28)24(4)18(16)27)22-19(25)29-12-15(26)21-14-10-8-7-9-13(14)6-2/h5,7-10H,1,6,11-12H2,2-4H3,(H,21,26)InChIKey
OTBIBYXBKRJZPS-UHFFFAOYSA-NSynonyms
2((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)N(2ethylphenyl)acetamide
2(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLN(2ETHYLPHENYL)ACETAMIDE
CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C
InChI=1SC20H23N5O3Sc1511251617(23(3)20(28)24(4)18(16)27)2219(25)291215(26)21141087913(14)62h5710H161112H224H3(H2126)
MFCD07394041
ZINC000004908488
ZINC04908488
ZINC4908488
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