Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562050
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C23H22ClN3O4S MW 471.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O4S/c1-2-31-17-7-6-15(13-16(17)24)21(28)19-20(18-5-3-12-32-18)27(23(30)22(19)29)10-4-9-26-11-8-25-14-26/h3,5-8,11-14,20,28H,2,4,9-10H2,1H3/b21-19+InChIKey
CTGQUBBSQAUENQ-XUTLUUPISA-NSynonyms
615274-70-9(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(2THIENYL)3PYRROLIN2ONE
615274709
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccs1)CCCn1cc(nH+)c1)(O)
InChI=1SC23H22ClN3O4Sc1231177615(1316(17)24)21(28)1920(1853123218)27(23(30)22(19)29)104926118251426h35811142028H24910H21H3b2119+
MFCD18243955
ZINC000102509268
ZINC000102509273
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