Vitas-M small molecule compound
N-(5-chloro-2-methoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK497232
SMILES COc1ccc(cc1NC(=O)CSc1nc2c(n1c1ccc(cc1)C)nc[nH]c2=O)Cl
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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 C21H18ClN5O3S MW 455.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O3S/c1-12-3-6-14(7-4-12)27-19-18(20(29)24-11-23-19)26-21(27)31-10-17(28)25-15-9-13(22)5-8-16(15)30-2/h3-9,11H,10H2,1-2H3,(H,25,28)(H,23,24,29)InChIKey
DTGXGLVQNXYEJC-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)OC
COc1ccc(cc1NC(=O)CSc1nc2c(n1c1ccc(cc1)C)nc(nH)c2=O)Cl
InChI=1SC21H18ClN5O3Sc1123614(7412)271918(20(29)24112319)2621(27)311017(28)2515913(22)5816(15)302h3911H10H212H3(H2528)(H232429)
MFCD11854663
N(5chloro2methoxyphenyl)2((9(4methylphenyl)6oxo3Hpurin8yl)sulfanyl)acetamide
N(5chloro2methoxyphenyl)2((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)acetamide
N(5CHLORO2METHOXYPHENYL)2(9(4METHYLPHENYL)6OXOHYDROPURIN8YLTHIO)ACETAMIDE
ZINC000012462115
ZINC12462115
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