Vitas-M small molecule compound
(5Z)-5-[3-bromo-4-(butan-2-yloxy)benzylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187365
SMILES CCC(Oc1ccc(cc1Br)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)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 C21H18BrFN2O3S MW 477.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrFN2O3S/c1-3-12(2)28-18-9-4-13(11-17(18)22)10-16-19(26)24-21(29)25(20(16)27)15-7-5-14(23)6-8-15/h4-12H,3H2,1-2H3,(H,24,26,29)/b16-10-InChIKey
FGGGUNMYRWFCLJ-YBEGLDIGSA-NSynonyms
(5Z)5((3BROMO4BUTAN2YLOXYPHENYL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3BROMO4(BUTAN2YLOXY)BENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)Br
CCC(Oc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F)C
InChI=1SC21H18BrFN2O3Sc1312(2)28189413(1117(18)22)101619(26)2421(29)25(20(16)27)157514(23)6815h412H3H212H3(H242629)b1610
MFCD03143778
ZINC000012342308
ZINC000012342309
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