Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368158
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCCCC2)/C1=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 C28H28N4O3S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S/c1-18-12-19(2)14-21(13-18)32-27(35)23(26(34)29-28(32)36)15-20-16-31(24-9-5-4-8-22(20)24)17-25(33)30-10-6-3-7-11-30/h4-5,8-9,12-16H,3,6-7,10-11,17H2,1-2H3,(H,29,34,36)/b23-15+InChIKey
MDTMZJHAXVNWQL-HZHRSRAPSA-NSynonyms
(5E)1(35dimethylphenyl)5((1(2oxo2(piperidin1yl)ethyl)1Hindol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(35dimethylphenyl)5((1(2oxo2piperidin1ylethyl)indol3yl)methylidene)2sulfanylidene13diazinane46dione
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)N5CCCCC5)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)CC(=O)N2CCCCC2)C1=O
InChI=1SC28H28N4O3Sc1181219(2)1421(1318)3227(35)23(26(34)2928(32)36)15201631(24954822(20)24)1725(33)30106371130h45891216H367101117H212H3(H293436)b2315+
MFCD28952057
ZINC000096234391
ZINC96234391
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