Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STK565334
SMILES CCCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C25H30N2O5S MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5S/c1-2-13-32-19-7-3-6-18(17-19)22-21(23(28)20-8-4-16-33-20)24(29)25(30)27(22)10-5-9-26-11-14-31-15-12-26/h3-4,6-8,16-17,22,28H,2,5,9-15H2,1H3/b23-21+InChIKey
TWMVTPNDIRDMIG-XTQSDGFTSA-NSynonyms
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(thiophen2yl)methanolate
CCCOc1cccc(c1)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD18244753
ZINC000009236049
ZINC000009275325
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