Vitas-M small molecule compound
(5E)-1-(3-methylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK560129
SMILES Cc1cccc(c1)N1C(=NC(=O)/C(=C\c2ccc(o2)[N+](=O)[O-])/C1=O)S
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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 C16H11N3O5S MW 357.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O5S/c1-9-3-2-4-10(7-9)18-15(21)12(14(20)17-16(18)25)8-11-5-6-13(24-11)19(22)23/h2-8H,1H3,(H,17,20,25)/b12-8+InChIKey
UWRHXMWUQJIUCZ-XYOKQWHBSA-NSynonyms
(5E)1(3METHYLPHENYL)5((5NITROFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3methylphenyl)5((5nitrofuran2yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)(N+)(=O)(O))C(=O)NC2=S
Cc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc(o2)(N+)(=O)(O))C1=O)S
InChI=1SC16H11N3O5Sc1932410(79)1815(21)12(14(20)1716(18)25)8115613(2411)19(22)23h28H1H3(H172025)b128+
MFCD03807502
ZINC000017145803
ZINC17145803
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