Vitas-M small molecule compound
(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK096225
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc3OCOc3cc2Br)/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 C18H10BrFN2O4S MW 449.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10BrFN2O4S/c19-13-7-15-14(25-8-26-15)6-9(13)5-12-16(23)21-18(27)22(17(12)24)11-3-1-10(20)2-4-11/h1-7H,8H2,(H,21,23,27)/b12-5+InChIKey
BBLSKVRPWXDVSO-LFYBBSHMSA-NSynonyms
(5E)5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F)Br
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc3OCOc3cc2Br)C1=O
InChI=1SC18H10BrFN2O4Sc191371514(2582615)69(13)51216(23)2118(27)22(17(12)24)113110(20)2411h17H8H2(H212327)b125+
MFCD04488237
STK096225
ZINC000009259404
ZINC09259404
ZINC9259404
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