Vitas-M small molecule compound
(5Z)-1-(2-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196868
SMILES CC1=NN(C(=O)C1/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1F)c1ccccc1
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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 C21H15FN4O3S MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN4O3S/c1-12-14(20(29)26(24-12)13-7-3-2-4-8-13)11-15-18(27)23-21(30)25(19(15)28)17-10-6-5-9-16(17)22/h2-11,14H,1H3,(H,23,27,30)/b15-11-InChIKey
USWMDMFBKOEGGC-PTNGSMBKSA-NSynonyms
444091-00-3(5Z)1(2FLUOROPHENYL)5((3METHYL5OXO1PHENYL45DIHYDRO1HPYRAZOL4YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(2fluorophenyl)5((3methyl5oxo1phenyl4Hpyrazol4yl)methylidene)2sulfanylidene13diazinane46dione
(Z)1(2fluorophenyl)5((3methyl5oxo1phenyl45dihydro1Hpyrazol4yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
444091003
CC1=NN(C(=O)C1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F)c1ccccc1
CC1=NN(C(=O)C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)C4=CC=CC=C4
InChI=1SC21H15FN4O3Sc11214(20(29)26(2412)137324813)111518(27)2321(30)25(19(15)28)171065916(17)22h21114H1H3(H232730)b1511
MFCD03226637
ZINC000009191580
ZINC000100223895
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