Vitas-M small molecule compound
(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187334
SMILES COc1ccc2c(c1)c(/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F)c(cc2)OC
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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 C23H17FN2O4S MW 436.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FN2O4S/c1-29-16-8-6-13-7-9-20(30-2)18(17(13)11-16)12-19-21(27)25-23(31)26(22(19)28)15-5-3-4-14(24)10-15/h3-12H,1-2H3,(H,25,27,31)/b19-12+InChIKey
PKSNAQFYEWHQDA-XDHOZWIPSA-NSynonyms
(5E)5((27DIMETHOXYNAPHTHALEN1YL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((27DIMETHOXYNAPHTHALEN1YL)METHYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((27dimethoxynaphthalen1yl)methylene)1(3fluorophenyl)2thioxodihydropyrimidine46(1H5H)dione
COC1=CC2=C(C=C1)C=CC(=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F)OC
COc1ccc2c(c1)c(C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F)c(cc2)OC
InChI=1SC23H17FN2O4Sc1291686137920(302)18(17(13)1116)121921(27)2523(31)26(22(19)28)1553414(24)1015h312H12H3(H252731)b1912+
MFCD04006858
ZINC12342306
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