Vitas-M small molecule compound
(5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK012376
SMILES Clc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C21H13ClFN3O2S MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClFN3O2S/c22-13-7-9-14(10-8-13)25-11-3-4-15(25)12-16-19(27)24-21(29)26(20(16)28)18-6-2-1-5-17(18)23/h1-12H,(H,24,27,29)/b16-12+InChIKey
TZTYJKGZZICJIV-FOWTUZBSSA-NSynonyms
428822-87-1(5E)5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLIDENE)1(2FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4CHLOROPHENYL)PYRROL2YL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
428822871
C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)C(=O)NC2=S)F
Clc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC21H13ClFN3O2Sc22137914(10813)25113415(25)121619(27)2421(29)26(20(16)28)18621517(18)23h112H(H242729)b1612+
MFCD02605256
STK012376
ZINC000001175100
ZINC01175100
ZINC1175100
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