Vitas-M small molecule compound
2-[(E)-{2-[4-(2-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzenesulfonate
Catalog ID
STK555158
SMILES O=C1N=C(S/C/1=C/c1ccccc1OS(=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/c1-20-9-5-7-13-23(20)29-15-17-30(18-16-29)27-28-26(31)25(35-27)19-21-10-6-8-14-24(21)34-36(32,33)22-11-3-2-4-12-22/h2-14,19H,15-18H2,1H3/b25-19+InChIKey
LCFSIXAUPGWUCP-NCELDCMTSA-NSynonyms
612052-74-1(2((E)(2(4(2METHYLPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
(E)2((4oxo2(4(otolyl)piperazin1yl)thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
2((E)(2(4(2methylphenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
612052741
CC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)C(=CC4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5)S3
InChI=1SC27H25N3O4S2c1209571323(20)29151730(181629)272826(31)25(3527)192110681424(21)3436(3233)22113241222h21419H1518H21H3b2519+
MFCD04009230
O=C1N=C(SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1C
ZINC000009466105
ZINC09466105
ZINC9466105
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