Vitas-M small molecule compound
(E)-(3-methoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562598
SMILES COc1cccc(c1)/C(=C\1/C(c2cccs2)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[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 C23H26N2O5S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5S/c1-29-17-6-2-5-16(15-17)21(26)19-20(18-7-3-14-31-18)25(23(28)22(19)27)9-4-8-24-10-12-30-13-11-24/h2-3,5-7,14-15,20,26H,4,8-13H2,1H3/b21-19+InChIKey
HUASGRHZLIHGOR-XUTLUUPISA-NSynonyms
608505-24-4(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(3methoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(3METHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
608505244
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CS4)(O)
COc1cccc(c1)C(=C1C(c2cccs2)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC23H26N2O5Sc1291762516(1517)21(26)1920(1873143118)25(23(28)22(19)27)94824101230131124h235714152026H4813H21H3b2119+
MFCD18244076
ZINC000102513831
ZINC000102513839
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