Vitas-M small molecule compound
N-(2-bromo-4-methylphenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STL495827
SMILES O=C(Nc1ccc(cc1Br)C)CSc1nc2c(n1C(C)C)c(=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 C19H22BrN5O3S MW 480.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN5O3S/c1-10(2)25-15-16(23(4)19(28)24(5)17(15)27)22-18(25)29-9-14(26)21-13-7-6-11(3)8-12(13)20/h6-8,10H,9H2,1-5H3,(H,21,26)InChIKey
LRVKFBRJULRARG-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)Br
InChI=1SC19H22BrN5O3Sc110(2)251516(23(4)19(28)24(5)17(15)27)2218(25)29914(26)21137611(3)812(13)20h6810H9H215H3(H2126)
MFCD07115420
N(2bromo4methylphenyl)2((13dimethyl26dioxo7(propan2yl)2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(2BROMO4METHYLPHENYL)2(13DIMETHYL26DIOXO7PROPAN2YLPURIN8YL)SULFANYLACETAMIDE
ZINC000009972415
ZINC9972415
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