Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL038173
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCCn1cc[nH+]c1)/[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 C28H30ClN3O7 MW 556.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O7/c1-5-39-20-8-7-17(13-19(20)29)25(33)23-24(18-14-21(36-2)27(38-4)22(15-18)37-3)32(28(35)26(23)34)11-6-10-31-12-9-30-16-31/h7-9,12-16,24,33H,5-6,10-11H2,1-4H3/b25-23+InChIKey
IZXBXQFJBCNYSD-WJTDDFOZSA-NSynonyms
(4E)4((3chloro4ethoxyphenyl)hydroxymethylidene)1(3imidazol1ylpropyl)5(345trimethoxyphenyl)pyrrolidine23dione
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C(=C4)OC)OC)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCCn1cc(nH+)c1)(O)
InChI=1SC28H30ClN3O7c1539208717(1319(20)29)25(33)2324(181421(362)27(384)22(1518)373)32(28(35)26(23)34)1161031129301631h7912162433H561011H214H3b2523+
MFCD18247573
ZINC000102860268
ZINC000102860271
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.