Vitas-M small molecule compound
(E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Catalog ID
STL039471
SMILES Cc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc2c([nH+]1)cccc2)/[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 C25H17FN2O3S MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17FN2O3S/c1-14-10-12-15(13-11-14)22(29)20-21(16-6-2-3-7-17(16)26)28(24(31)23(20)30)25-27-18-8-4-5-9-19(18)32-25/h2-13,21,29H,1H3/b22-20+InChIKey
ZUYXSMSVFBPRLK-LSDHQDQOSA-NSynonyms
421581-68-2(4E)1(13BENZOTHIAZOL2YL)5(2FLUOROPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(13benzothiazol3ium2yl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
421581682
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5F)O
Cc1ccc(cc1)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1sc2c((nH+)1)cccc2)(O)
InChI=1SC25H17FN2O3Sc114101215(131114)22(29)2021(16623717(16)26)28(24(31)23(20)30)252718845919(18)3225h2132129H1H3b2220+
MFCD18247839
ZINC000102864337
ZINC000102864340
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