Vitas-M small molecule compound
(5E)-1-(4-fluorophenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187458
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/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 C21H12FN3O5S MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12FN3O5S/c22-13-4-6-14(7-5-13)24-20(27)17(19(26)23-21(24)31)11-16-8-9-18(30-16)12-2-1-3-15(10-12)25(28)29/h1-11H,(H,23,26,31)/b17-11+InChIKey
ZAUWYYMTKRIXSO-GZTJUZNOSA-NSynonyms
(5E)1(4FLUOROPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4FLUOROPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC(=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC21H12FN3O5Sc22134614(7513)2420(27)17(19(26)2321(24)31)11168918(3016)1221315(1012)25(28)29h111H(H232631)b1711+
MFCD02308663
ZINC000002989528
ZINC2989528
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