Vitas-M small molecule compound

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

Catalog ID
STL041507
SMILES O=C1N=C(S/C/1=C\c1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccc(cc1)[N+](=O)[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 C26H22N4O6S2 MW 550.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O6S2/c31-25-24(18-19-6-12-22(13-7-19)36-38(34,35)23-4-2-1-3-5-23)37-26(27-25)29-16-14-28(15-17-29)20-8-10-21(11-9-20)30(32)33/h1-13,18H,14-17H2/b24-18-
InChIKey
UTTGQFCQKKBAEJ-MOHJPFBDSA-N
Synonyms
713094-07-6
(4((Z)(2(4(4NITROPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
(Z)4((2(4(4nitrophenyl)piperazin1yl)4oxothiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
4((Z)(2(4(4nitrophenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
713094076
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C3=NC(=O)C(=CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)S3
InChI=1SC26H22N4O6S2c312524(181961222(13719)3638(3435)234213523)3726(2725)29161428(151729)2081021(11920)30(32)33h11318H1417H2b2418
MFCD05725721
O=C1N=C(SC1=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000101670103
ZINC101670103

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Available files

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