Vitas-M small molecule compound

(E)-[1-(1,3-benzothiazol-3-ium-2-yl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene](4-methylphenyl)methanolate

Catalog ID
STK560401
SMILES Cc1ccc(cc1)/C(=C\1/C(c2ccccc2)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 C25H18N2O3S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O3S/c1-15-11-13-17(14-12-15)22(28)20-21(16-7-3-2-4-8-16)27(24(30)23(20)29)25-26-18-9-5-6-10-19(18)31-25/h2-14,21,28H,1H3/b22-20+
InChIKey
NWZPFVLGNMYBSF-LSDHQDQOSA-N
Synonyms
421581-57-9
(4E)1(13BENZOTHIAZOL2YL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5PHENYLPYRROLIDINE23DIONE
(E)(1(13benzothiazol3ium2yl)45dioxo2phenylpyrrolidin3ylidene)(4methylphenyl)methanolate
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)O
Cc1ccc(cc1)C(=C1C(c2ccccc2)N(C(=O)C1=O)c1sc2c((nH+)1)cccc2)(O)
Registry IDs
MFCD18243523
ZINC000102495652
ZINC000102495658

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.