Vitas-M small molecule compound

4-[(Z)-{2-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-ethoxyphenolate

Catalog ID
STK570497
SMILES CCOc1cc(ccc1[O-])/C=C/1\SC(=NC1=O)N1CC[NH+](CC1)c1cccc(c1)Cl

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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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c1-2-29-19-12-15(6-7-18(19)27)13-20-21(28)24-22(30-20)26-10-8-25(9-11-26)17-5-3-4-16(23)14-17/h3-7,12-14,27H,2,8-11H2,1H3/b20-13-
InChIKey
TZRQZLBSCCZMIY-MOSHPQCFSA-N
Synonyms
843618-10-0
843618100
CCOc1cc(ccc1(O))C=C1SC(=NC1=O)N1CC(NH+)(CC1)c1cccc(c1)Cl
MFCD04014352
ZINC000001890487

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Available files

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