Vitas-M small molecule compound
(E)-[4,5-dioxo-2-(4-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Catalog ID
STL149812
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C24H22N2O4S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O4S/c1-2-12-30-18-9-7-17(8-10-18)21-20(22(27)19-6-4-13-31-19)23(28)24(29)26(21)15-16-5-3-11-25-14-16/h3-11,13-14,21,27H,2,12,15H2,1H3/b22-20+InChIKey
KPMMIGRMHRKJBV-LSDHQDQOSA-NSynonyms
CCCOc1ccc(cc1)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
MFCD20755679
ZINC000102930068
ZINC000102930070
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