Vitas-M small molecule compound

4-[(E)-{2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzenesulfonate

Catalog ID
STK539146
SMILES Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OS(=O)(=O)c2ccccc2)/S1

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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 C27H25N3O4S2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S2/c1-20-6-5-7-22(18-20)29-14-16-30(17-15-29)27-28-26(31)25(35-27)19-21-10-12-23(13-11-21)34-36(32,33)24-8-3-2-4-9-24/h2-13,18-19H,14-17H2,1H3/b25-19+
InChIKey
DPLVDEWFRIFGNN-NCELDCMTSA-N
Synonyms
384802-39-5
(4((E)(2(4(3METHYLPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
(E)4((4oxo2(4(mtolyl)piperazin1yl)thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
384802395
4((E)(2(4(3methylphenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)S3
Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)C(=Cc2ccc(cc2)OS(=O)(=O)c2ccccc2)S1
InChI=1SC27H25N3O4S2c12065722(1820)29141630(171529)272826(31)25(3527)1921101223(131121)3436(3233)248324924h2131819H1417H21H3b2519+
MFCD03284532
ZINC000009086449
ZINC09086449
ZINC9086449

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Available files

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