Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK497256
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nc2c(n1c1ccc(cc1)C)nc[nH]c2=O
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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 C21H18ClN5O2S MW 439.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O2S/c1-12-3-7-15(8-4-12)27-19-18(20(29)24-11-23-19)26-21(27)30-10-17(28)25-16-9-14(22)6-5-13(16)2/h3-9,11H,10H2,1-2H3,(H,25,28)(H,23,24,29)InChIKey
MOZIEAFAJGWQGJ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C
InChI=1SC21H18ClN5O2Sc1123715(8412)271918(20(29)24112319)2621(27)301017(28)2516914(22)6513(16)2h3911H10H212H3(H2528)(H232429)
MFCD11854687
N(5chloro2methylphenyl)2((9(4methylphenyl)6oxo3Hpurin8yl)sulfanyl)acetamide
N(5chloro2methylphenyl)2((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)acetamide
N(5CHLORO2METHYLPHENYL)2(9(4METHYLPHENYL)6OXOHYDROPURIN8YLTHIO)ACETAMIDE
O=C(Nc1cc(Cl)ccc1C)CSc1nc2c(n1c1ccc(cc1)C)nc(nH)c2=O
ZINC000012462114
ZINC12462114
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