Vitas-M small molecule compound
4-[(E)-{2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-methoxyphenolate
Catalog ID
STK565282
SMILES COc1cc(ccc1[O-])/C=C\1/SC(=NC1=O)N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1
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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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-34-24-18-20(12-13-23(24)32)19-25-27(33)29-28(35-25)31-16-14-30(15-17-31)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18-19,26,32H,14-17H2,1H3/b25-19+InChIKey
KTSLKRSWBWLUDA-NCELDCMTSA-NSynonyms
(5E)2(4BENZHYDRYLPIPERAZIN1YL)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)13THIAZOL4ONE
4((E)(2(4(diphenylmethyl)piperazin4ium1yl)4oxo13thiazol5(4H)ylidene)methyl)2methoxyphenolate
4((E)(2(4BENZHYDRYLPIPERAZIN4IUM1YL)4OXO13THIAZOL5YLIDENE)METHYL)2METHOXYPHENOLATE
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O
COc1cc(ccc1(O))C=C1SC(=NC1=O)N1CC(NH+)(CC1)C(c1ccccc1)c1ccccc1
InChI=1SC28H27N3O3Sc134241820(121323(24)32)192527(33)2928(3525)31161430(151731)26(218425921)22106371122h21318192632H1417H21H3b2519+
MFCD02983755
ZINC000019948310
ZINC19948310
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