Vitas-M small molecule compound
ethyl 2-[(3E)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK559381
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)F)/O)/C1c1cccc(c1)Oc1ccccc1
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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 C30H23FN2O6S MW 558.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23FN2O6S/c1-3-38-29(37)27-17(2)32-30(40-27)33-24(19-8-7-11-22(16-19)39-21-9-5-4-6-10-21)23(26(35)28(33)36)25(34)18-12-14-20(31)15-13-18/h4-16,24,34H,3H2,1-2H3/b25-23+InChIKey
YORPSBYUTQNHKG-WJTDDFOZSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=C(C=C3)F)O)C(=O)C2=O)C4=CC(=CC=C4)OC5=CC=CC=C5)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)F)O)C1c1cccc(c1)Oc1ccccc1
ethyl2((3E)3((4fluorophenyl)(hydroxy)methylidene)45dioxo2(3phenoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)23DIOXO5(3PHENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC30H23FN2O6Sc133829(37)2717(2)3230(4027)3324(19871122(1619)392195461021)23(26(35)28(33)36)25(34)18121420(31)151318h4162434H3H212H3b2523+
MFCD03809017
ZINC000102486588
ZINC000102486596
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