Vitas-M small molecule compound
(5E)-5-[4-(dimethylamino)benzylidene]-1-(4-ethoxyphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368197
SMILES CCOc1ccc(cc1)N1C(=S)N(c2ccccc2)C(=O)/C(=C\c2ccc(cc2)N(C)C)/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 C27H25N3O3S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3S/c1-4-33-23-16-14-22(15-17-23)30-26(32)24(18-19-10-12-20(13-11-19)28(2)3)25(31)29(27(30)34)21-8-6-5-7-9-21/h5-18H,4H2,1-3H3/b24-18+InChIKey
WXDXPDOEPLFAFE-HKOYGPOVSA-NSynonyms
(5E)5((4(dimethylamino)phenyl)methylidene)1(4ethoxyphenyl)3phenyl2sulfanylidene13diazinane46dione
(5E)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)1(4ETHOXYPHENYL)3PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4(dimethylamino)benzylidene)1(4ethoxyphenyl)3phenyl2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)C(=O)N(C2=S)C4=CC=CC=C4
CCOc1ccc(cc1)N1C(=S)N(c2ccccc2)C(=O)C(=Cc2ccc(cc2)N(C)C)C1=O
InChI=1SC27H25N3O3Sc143323161422(151723)3026(32)24(1819101220(131119)28(2)3)25(31)29(27(30)34)218657921h518H4H213H3b2418+
MFCD01803077
ZINC000020176487
ZINC20176487
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