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-(3-methoxyphenyl)acetamide
Catalog ID
STL412384
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)OC)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 C19H21N5O4S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4S/c1-5-9-24-15-16(22(2)19(27)23(3)17(15)26)21-18(24)29-11-14(25)20-12-7-6-8-13(10-12)28-4/h5-8,10H,1,9,11H2,2-4H3,(H,20,25)InChIKey
KSNXWMLATLJTHN-UHFFFAOYSA-NSynonyms
2((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)N(3methoxyphenyl)acetamide
2(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLN(3METHOXYPHENYL)ACETAMIDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)CC=C
InChI=1SC19H21N5O4Sc159241516(22(2)19(27)23(3)17(15)26)2118(24)291114(25)201276813(1012)284h5810H1911H224H3(H2025)
MFCD07396186
ZINC000004936813
ZINC04936813
ZINC4936813
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