Vitas-M small molecule compound
(5E)-5-[2-(butan-2-yloxy)-3-methoxybenzylidene]-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190159
SMILES CCC(Oc1c(cccc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F)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 C22H21FN2O4S MW 428.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN2O4S/c1-4-13(2)29-19-14(7-5-10-18(19)28-3)11-17-20(26)24-22(30)25(21(17)27)16-9-6-8-15(23)12-16/h5-13H,4H2,1-3H3,(H,24,26,30)/b17-11+InChIKey
RGJFBILKNTWCKY-GZTJUZNOSA-NSynonyms
(5E)5((2butan2yloxy3methoxyphenyl)methylidene)1(3fluorophenyl)2sulfanylidene13diazinane46dione
(5E)5(2(BUTAN2YLOXY)3METHOXYBENZYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC(C)OC1=C(C=CC=C1OC)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F
CCC(Oc1c(cccc1OC)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F)C
InChI=1SC22H21FN2O4Sc1413(2)291914(751018(19)283)111720(26)2422(30)25(21(17)27)1696815(23)1216h513H4H213H3(H242630)b1711+
MFCD03697053
ZINC000009260271
ZINC000009260275
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