Vitas-M small molecule compound
(5E)-5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187737
SMILES Brc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F
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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 C21H13BrFN3O2S MW 470.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrFN3O2S/c22-13-6-8-15(9-7-13)25-10-2-5-16(25)12-18-19(27)24-21(29)26(20(18)28)17-4-1-3-14(23)11-17/h1-12H,(H,24,27,29)/b18-12+InChIKey
TTZPMUQVCIUTAR-LDADJPATSA-NSynonyms
(5E)5((1(4BROMOPHENYL)1HPYRROL2YL)METHYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4BROMOPHENYL)PYRROL2YL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F
C1=CC(=CC(=C1)F)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Br)C(=O)NC2=S
InChI=1SC21H13BrFN3O2Sc22136815(9713)25102516(25)121819(27)2421(29)26(20(18)28)1741314(23)1117h112H(H242729)b1812+
MFCD03711323
ZINC000001161609
ZINC01161609
ZINC1161609
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