Vitas-M small molecule compound
4-[(E)-{2-[4-(2-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzenesulfonate
Catalog ID
STK731005
SMILES O=C1N=C(S/C/1=C/c1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1C
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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/c1-20-7-5-6-10-24(20)29-15-17-30(18-16-29)27-28-26(31)25(35-27)19-21-11-13-22(14-12-21)34-36(32,33)23-8-3-2-4-9-23/h2-14,19H,15-18H2,1H3/b25-19+InChIKey
YYGKHAKRCUWVFT-NCELDCMTSA-NSynonyms
(4((E)(2(4(2METHYLPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
(Z)4((4oxo2(4(otolyl)piperazin1yl)thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
4((E)(2(4(2methylphenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
CC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)S3
InChI=1SC27H25N3O4S2c1207561024(20)29151730(181629)272826(31)25(3527)1921111322(141221)3436(3233)238324923h21419H1518H21H3b2519+
MFCD02374470
O=C1N=C(SC1=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1C
ZINC000027515409
ZINC27515409
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