Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL149547
SMILES Clc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1cccs1)/[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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c22-15-6-4-14(5-7-15)18-17(19(26)16-3-1-12-29-16)20(27)21(28)25(18)10-2-9-24-11-8-23-13-24/h1,3-8,11-13,18,26H,2,9-10H2/b19-17+InChIKey
UMVXGAXNEZPHGH-HTXNQAPBSA-NSynonyms
(E)(2(4chlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
Clc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1cccs1)(O)
MFCD20755625
ZINC000102929482
ZINC000102929484
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