Vitas-M small molecule compound
(5Z)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxy-3-(4-iodophenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL051465
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)I)O
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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 C23H17FIN3O3 MW 529.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FIN3O3/c1-13-11-15(14(2)27(13)18-7-3-16(24)4-8-18)12-20-21(29)26-23(31)28(22(20)30)19-9-5-17(25)6-10-19/h3-12H,1-2H3,(H,26,29,31)/b20-12-InChIKey
MLCSWCKEKJTMRN-NDENLUEZSA-NSynonyms
579442-19-6(5Z)5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)6hydroxy3(4iodophenyl)pyrimidine24(3H5H)dione
(5Z)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4IODOPHENYL)13DIAZINANE246TRIONE
579442196
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)I
Fc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)I)O
InChI=1SC23H17FIN3O3c1131115(14(2)27(13)187316(24)4818)122021(29)2623(31)28(22(20)30)199517(25)61019h312H12H3(H262931)b2012
MFCD05725460
ZINC000097970066
ZINC97970066
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