Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-methoxybenzylidene]-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187752
SMILES COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)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 C27H24N2O4S MW 472.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O4S/c1-17-11-18(2)13-21(12-17)29-26(31)22(25(30)28-27(29)34)14-20-9-10-23(24(15-20)32-3)33-16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,28,30,34)/b22-14+InChIKey
AGKHHWLJJIPFDP-HYARGMPZSA-NSynonyms
(5E)1(35dimethylphenyl)5((3methoxy4phenylmethoxyphenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)5(4(BENZYLOXY)3METHOXYBENZYLIDENE)1(35DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)NC2=S)C
COc1cc(ccc1OCc1ccccc1)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC27H24N2O4Sc1171118(2)1321(1217)2926(31)22(25(30)2827(29)34)142091023(24(1520)323)3316197546819h415H16H213H3(H283034)b2214+
MFCD02290570
ZINC000009260384
ZINC09260384
ZINC9260384
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