Vitas-M small molecule compound
(5Z)-5-[4-(azepan-1-yl)benzylidene]-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK597872
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)N2CCCCCC2)/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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-2-31-21-13-11-20(12-14-21)28-24(30)22(23(29)26-25(28)32)17-18-7-9-19(10-8-18)27-15-5-3-4-6-16-27/h7-14,17H,2-6,15-16H2,1H3,(H,26,29,32)/b22-17-InChIKey
RLPCPIWVDCKLKI-XLNRJJMWSA-NSynonyms
848929-03-3(5Z)5((4(AZEPAN1YL)PHENYL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(4(azepan1yl)benzylidene)1(4ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(Z)5(4(azepan1yl)benzylidene)1(4ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
848929033
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)N2CCCCCC2)C1=O
InChI=1SC25H27N3O3Sc123121131120(121421)2824(30)22(23(29)2625(28)32)17187919(10818)271553461627h71417H261516H21H3(H262932)b2217
MFCD05678032
ZINC000009232786
ZINC09232786
ZINC9232786
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