Vitas-M small molecule compound
8-methoxy-3-[5-(2-methyl-2,3-dihydro-1H-indol-1-yl)-5-oxopentyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL131707
SMILES COc1ccc2c(c1)c1[nH]c(=S)n(c(=O)c1[nH]2)CCCCC(=O)N1C(C)Cc2c1cccc2
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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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c1-15-13-16-7-3-4-8-20(16)29(15)21(30)9-5-6-12-28-24(31)23-22(27-25(28)33)18-14-17(32-2)10-11-19(18)26-23/h3-4,7-8,10-11,14-15,26H,5-6,9,12-13H2,1-2H3,(H,27,33)InChIKey
CHXFSACBXMMUSI-UHFFFAOYSA-NSynonyms
8methoxy3(5(2methyl23dihydro1Hindol1yl)5oxopentyl)2thioxo1235tetrahydro4Hpyrimido(54b)indol4one
8methoxy3(5(2methyl23dihydroindol1yl)5oxopentyl)2sulfanylidene15dihydropyrimido(54b)indol4one
CC1CC2=CC=CC=C2N1C(=O)CCCCN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S
COc1ccc2c(c1)c1(nH)c(=S)n(c(=O)c1(nH)2)CCCCC(=O)N1C(C)Cc2c1cccc2
InChI=1SC25H26N4O3Sc1151316734820(16)29(15)21(30)956122824(31)2322(2725(28)33)181417(322)101119(18)2623h34781011141526H5691213H212H3(H2733)
MFCD14781077
ZINC000020331655
ZINC000020331659
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