Vitas-M small molecule compound
(5E)-5-{[(1,1-dioxido-2,3-dihydrothiophen-3-yl)amino]methylidene}-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK600471
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C\NC2C=CS(=O)(=O)C2)/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 C16H15N3O5S2 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S2/c1-24-12-4-2-11(3-5-12)19-15(21)13(14(20)18-16(19)25)8-17-10-6-7-26(22,23)9-10/h2-8,10,17H,9H2,1H3,(H,18,20,25)/b13-8+InChIKey
CXQAWUUYHIWDSL-MDWZMJQESA-NSynonyms
(5E)5(((11dioxido23dihydrothiophen3yl)amino)methylidene)1(4methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5(((11dioxo23dihydrothiophen3yl)amino)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
COC1=CC=C(C=C1)N2C(=O)C(=CNC3CS(=O)(=O)C=C3)C(=O)NC2=S
COc1ccc(cc1)N1C(=NC(=O)C(=CNC2C=CS(=O)(=O)C2)C1=O)S
InChI=1SC16H15N3O5S2c124124211(3512)1915(21)13(14(20)1816(19)25)817106726(2223)910h281017H9H21H3(H182025)b138+
MFCD08730904
ZINC000020624028
ZINC000020624031
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