Vitas-M small molecule compound
(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL371778
SMILES O=C1NC(=S)N(C(=O)/C/1=C/NCc1ccc2c(c1)OCO2)c1ccccc1F
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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 C19H14FN3O4S MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14FN3O4S/c20-13-3-1-2-4-14(13)23-18(25)12(17(24)22-19(23)28)9-21-8-11-5-6-15-16(7-11)27-10-26-15/h1-7,9,21H,8,10H2,(H,22,24,28)/b12-9+InChIKey
SIATZIGRSWMFQY-FMIVXFBMSA-NSynonyms
(5E)5(((13benzodioxol5ylmethyl)amino)methylidene)1(2fluorophenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((13benzodioxol5ylmethylamino)methylidene)1(2fluorophenyl)2sulfanylidene13diazinane46dione
C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
InChI=1SC19H14FN3O4Sc2013312414(13)2318(25)12(17(24)2219(23)28)921811561516(711)27102615h17921H810H2(H222428)b129+
MFCD03562565
O=C1NC(=S)N(C(=O)C1=CNCc1ccc2c(c1)OCO2)c1ccccc1F
ZINC000023527923
ZINC23527923
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