Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STK566262
SMILES COc1cccc(c1)/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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-29-16-6-2-5-15(13-16)20(26)18-19(17-7-3-12-30-17)25(22(28)21(18)27)10-4-9-24-11-8-23-14-24/h2-3,5-8,11-14,19,26H,4,9-10H2,1H3/b20-18+InChIKey
ZJBVKNYYQPEMDC-CZIZESTLSA-NSynonyms
609316-09-8(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
3HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)4(3METHOXYBENZOYL)5(2THIENYL)15DIHYDRO2HPYRROL2ONE
609316098
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)O
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1cccs1)CCCn1cc(nH+)c1)(O)
InChI=1SC22H21N3O4Sc1291662515(1316)20(26)1819(1773123017)25(22(28)21(18)27)104924118231424h235811141926H4910H21H3b2018+
MFCD18244986
ZINC000102540771
ZINC000102540777
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