Vitas-M small molecule compound
4-[(Z)-{2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzoate
Catalog ID
STL053963
SMILES Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(cc2)OC(=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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-20-6-5-9-23(18-20)30-14-16-31(17-15-30)28-29-26(32)25(35-28)19-21-10-12-24(13-11-21)34-27(33)22-7-3-2-4-8-22/h2-13,18-19H,14-17H2,1H3/b25-19-InChIKey
ZRMMPDUAGAZJDA-PLRJNAJWSA-NSynonyms
428856-28-4(4((Z)(2(4(3METHYLPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZOATE
(Z)4((4oxo2(4(mtolyl)piperazin1yl)thiazol5(4H)ylidene)methyl)phenylbenzoate
4((Z)(2(4(3methylphenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzoate
428856284
CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)S3
Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)C(=Cc2ccc(cc2)OC(=O)c2ccccc2)S1
InChI=1SC28H25N3O3Sc12065923(1820)30141631(171530)282926(32)25(3528)1921101224(131121)3427(33)227324822h2131819H1417H21H3b2519
MFCD03137938
ZINC000002690880
ZINC02690880
ZINC2690880
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