Vitas-M small molecule compound
(5E)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL151497
SMILES Cc1ccc(cc1)N1C(=NC(=O)/C(=C\C2C(=NN(C2=O)c2ccccc2)C)/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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-13-8-10-15(11-9-13)25-20(28)18(19(27)23-22(25)30)12-17-14(2)24-26(21(17)29)16-6-4-3-5-7-16/h3-12,17H,1-2H3,(H,23,27,30)/b18-12+InChIKey
WAVCZCZIHBICOQ-LDADJPATSA-NSynonyms
(5E)5((3METHYL5OXO1PHENYL45DIHYDRO1HPYRAZOL4YL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)5((3methyl5oxo1phenyl4Hpyrazol4yl)methylidene)1(4methylphenyl)2sulfanylidene13diazinane46dione
CC1=CC=C(C=C1)N2C(=O)C(=CC3C(=NN(C3=O)C4=CC=CC=C4)C)C(=O)NC2=S
Cc1ccc(cc1)N1C(=NC(=O)C(=CC2C(=NN(C2=O)c2ccccc2)C)C1=O)S
InChI=1SC22H18N4O3Sc11381015(11913)2520(28)18(19(27)2322(25)30)121714(2)2426(21(17)29)166435716h31217H12H3(H232730)b1812+
MFCD08730317
ZINC000009165742
ZINC000102933567
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