Vitas-M small molecule compound
(5E)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-1-(2,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK111866
SMILES Cc1ccc(c(c1)N1C(=S)NC(=O)/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/C1=O)C
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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 C27H32N2O3S MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O3S/c1-15-9-10-16(2)21(11-15)29-24(32)18(23(31)28-25(29)33)12-17-13-19(26(3,4)5)22(30)20(14-17)27(6,7)8/h9-14,30H,1-8H3,(H,28,31,33)/b18-12+InChIKey
UJQXRGAUJDUGLY-LDADJPATSA-NSynonyms
(5E)5((35DITERTBUTYL4HYDROXYPHENYL)METHYLIDENE)1(25DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(35DITERTBUTYL4HYDROXYBENZYLIDENE)1(25DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)NC2=S
Cc1ccc(c(c1)N1C(=S)NC(=O)C(=Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C1=O)C
InChI=1SC27H32N2O3Sc11591016(2)21(1115)2924(32)18(23(31)2825(29)33)12171319(26(34)5)22(30)20(1417)27(67)8h91430H18H3(H283133)b1812+
MFCD05149559
ZINC000009323224
ZINC09323224
ZINC9323224
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