Vitas-M small molecule compound
(5Z)-5-[(2,7-diethoxynaphthalen-1-yl)methylidene]-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK060049
SMILES CCOc1ccc2c(c1/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1F)cc(cc2)OCC
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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 C25H21FN2O4S MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O4S/c1-3-31-16-11-9-15-10-12-22(32-4-2)18(17(15)13-16)14-19-23(29)27-25(33)28(24(19)30)21-8-6-5-7-20(21)26/h5-14H,3-4H2,1-2H3,(H,27,29,33)/b19-14-InChIKey
CKYGOSNHYVIUNC-RGEXLXHISA-NSynonyms
(5Z)5((27DIETHOXYNAPHTHALEN1YL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((27DIETHOXYNAPHTHALEN1YL)METHYLIDENE)1(2FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC2=C(C=C1)C=CC(=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F)OCC
CCOc1ccc2c(c1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F)cc(cc2)OCC
InChI=1SC25H21FN2O4Sc13311611915101222(3242)18(17(15)1316)141923(29)2725(33)28(24(19)30)21865720(21)26h514H34H212H3(H272933)b1914
MFCD03226533
STK060049
ZINC000001407211
ZINC01407211
ZINC1407211
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