Vitas-M small molecule compound
8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Catalog ID
STK497077
SMILES COc1c(C)cnc(c1C)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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-12-5-7-15(8-6-12)26-19-17(20(27)24-11-23-19)25-21(26)29-10-16-14(3)18(28-4)13(2)9-22-16/h5-9,11H,10H2,1-4H3,(H,23,24,27)InChIKey
MRQLPRXFWBYYFX-UHFFFAOYSA-NSynonyms
8(((4methoxy35dimethylpyridin2yl)methyl)sulfanyl)9(4methylphenyl)19dihydro6Hpurin6one
8((4methoxy35dimethylpyridin2yl)methylsulfanyl)9(4methylphenyl)3Hpurin6one
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=NC=C(C(=C4C)OC)C
COc1c(C)cnc(c1C)CSc1nc2c(n1c1ccc(cc1)C)nc(nH)c2=O
InChI=1SC21H21N5O2Sc1125715(8612)261917(20(27)24112319)2521(26)29101614(3)18(284)13(2)92216h5911H10H214H3(H232427)
MFCD11854597
ZINC000020394358
ZINC20394358
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