Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK559902
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C28H30ClN3O4 MW 508.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O4/c1-4-36-23-11-10-21(16-22(23)29)26(33)24-25(20-8-6-19(7-9-20)18(2)3)32(28(35)27(24)34)14-5-13-31-15-12-30-17-31/h6-12,15-18,25,33H,4-5,13-14H2,1-3H3/b26-24+InChIKey
PDJFTSHUCOSDGS-SHHOIMCASA-NSynonyms
849918-50-9(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
849918509
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)C(C)C)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1cc(nH+)c1)(O)
InChI=1SC28H30ClN3O4c143623111021(1622(23)29)26(33)2425(208619(7920)18(2)3)32(28(35)27(24)34)14513311512301731h61215182533H451314H213H3b2624+
MFCD18243398
ZINC000102491401
ZINC000102491408
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