Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK575767
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)F)OC(C)C)/[O-])/C1c1cc(OC)c(c(c1)OC)OC)CC
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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 C30H39FN2O7 MW 558.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39FN2O7/c1-8-32(9-2)13-10-14-33-26(20-16-23(37-5)29(39-7)24(17-20)38-6)25(28(35)30(33)36)27(34)19-11-12-22(21(31)15-19)40-18(3)4/h11-12,15-18,26,34H,8-10,13-14H2,1-7H3/b27-25+InChIKey
PDHMKXREYSCMJR-IMVLJIQESA-NSynonyms
898926-64-2(4E)1(3(DIETHYLAMINO)PROPYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
898926642
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OC(C)C)F)(O))C(=O)C1=O)C3=CC(=C(C(=C3)OC)OC)OC
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc(c(c2)F)OC(C)C)(O))C1c1cc(OC)c(c(c1)OC)OC)CC
InChI=1SC30H39FN2O7c1832(92)1310143326(201623(375)29(397)24(1720)386)25(28(35)30(33)36)27(34)19111222(21(31)1519)4018(3)4h111215182634H8101314H217H3b2725+
MFCD18245535
ZINC000102578113
ZINC000102578119
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