Vitas-M small molecule compound

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

Catalog ID
STK556432
SMILES Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=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/c1-20-8-7-10-22(18-20)29-14-16-30(17-15-29)27-28-26(31)25(35-27)19-21-9-5-6-13-24(21)34-36(32,33)23-11-3-2-4-12-23/h2-13,18-19H,14-17H2,1H3/b25-19+
InChIKey
YVQAKXRRJVXRKW-NCELDCMTSA-N
Synonyms
573698-40-5
(2((E)(2(4(3METHYLPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
(E)2((4oxo2(4(mtolyl)piperazin1yl)thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
2((E)(2(4(3methylphenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
573698405
CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5)S3
Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)S1
InChI=1SC27H25N3O4S2c120871022(1820)29141630(171529)272826(31)25(3527)19219561324(21)3436(3233)23113241223h2131819H1417H21H3b2519+
MFCD04017946
ZINC000009470120
ZINC09470120
ZINC9470120

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Available files

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