Vitas-M small molecule compound
N-(3,5-dimethoxyphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK497243
SMILES COc1cc(NC(=O)CSc2nc3c(n2c2ccc(cc2)C)nc[nH]c3=O)cc(c1)OC
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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 C22H21N5O4S MW 451.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4S/c1-13-4-6-15(7-5-13)27-20-19(21(29)24-12-23-20)26-22(27)32-11-18(28)25-14-8-16(30-2)10-17(9-14)31-3/h4-10,12H,11H2,1-3H3,(H,25,28)(H,23,24,29)InChIKey
JBEQPRMGNLTLQT-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC(=CC(=C4)OC)OC
COc1cc(NC(=O)CSc2nc3c(n2c2ccc(cc2)C)nc(nH)c3=O)cc(c1)OC
InChI=1SC22H21N5O4Sc1134615(7513)272019(21(29)24122320)2622(27)321118(28)2514816(302)1017(914)313h41012H11H213H3(H2528)(H232429)
MFCD11854674
N(35dimethoxyphenyl)2((9(4methylphenyl)6oxo3Hpurin8yl)sulfanyl)acetamide
N(35dimethoxyphenyl)2((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)acetamide
N(35DIMETHOXYPHENYL)2(9(4METHYLPHENYL)6OXOHYDROPURIN8YLTHIO)ACETAMIDE
ZINC000012462113
ZINC12462113
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