Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STL046789
SMILES O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccs1
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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 C22H24N2O4S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S/c25-20(16-6-2-1-3-7-16)18-19(17-8-4-15-29-17)24(22(27)21(18)26)10-5-9-23-11-13-28-14-12-23/h1-4,6-8,15,19,25H,5,9-14H2/b20-18+InChIKey
DJVJKZZQUACHMY-CZIZESTLSA-NSynonyms
380906-24-1(4E)4(HYDROXY(PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
380906241
C1COCCN1CCCN2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC=CS4
InChI=1SC22H24N2O4Sc2520(166213716)1819(1784152917)24(22(27)21(18)26)105923111328141223h1468151925H5914H2b2018+
MFCD18248924
O=C1C(=O)C(=C(c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1cccs1
ZINC000102882017
ZINC000102882020
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