Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL047843
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C26H26ClN3O5 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O5/c1-3-35-21-10-7-18(15-20(21)27)24(31)22-23(17-5-8-19(34-2)9-6-17)30(26(33)25(22)32)13-4-12-29-14-11-28-16-29/h5-11,14-16,23,31H,3-4,12-13H2,1-2H3/b24-22+InChIKey
VTVYYXIBJUCCAT-ZNTNEXAZSA-NSynonyms
850239-39-3(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
850239393
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)CCCn1cc(nH+)c1)(O)
InChI=1SC26H26ClN3O5c13352110718(1520(21)27)24(31)2223(175819(342)9617)30(26(33)25(22)32)13412291411281629h51114162331H341213H212H3b2422+
MFCD18249150
ZINC000102883611
ZINC000102883614
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