Vitas-M small molecule compound
N-(2-ethylphenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Catalog ID
STK770889
SMILES CCc1ccccc1NC(=O)Cn1ncnc1Sc1nc2c(n1C)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 C20H22N8O3S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N8O3S/c1-5-12-8-6-7-9-13(12)23-14(29)10-28-18(21-11-22-28)32-19-24-16-15(25(19)2)17(30)27(4)20(31)26(16)3/h6-9,11H,5,10H2,1-4H3,(H,23,29)InChIKey
QPBSZFVTDUJOSG-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1NC(=O)CN2C(=NC=N2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C
InChI=1SC20H22N8O3Sc1512867913(12)2314(29)102818(21112228)3219241615(25(19)2)17(30)27(4)20(31)26(16)3h6911H510H214H3(H2329)
MFCD03683324
N(2ethylphenyl)2(5((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)1H124triazol1yl)acetamide
N(2ETHYLPHENYL)2(5(137TRIMETHYL26DIOXOPURIN8YL)SULFANYL124TRIAZOL1YL)ACETAMIDE
ZINC000000679519
ZINC00679519
ZINC679519
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