Vitas-M small molecule compound
4-[(E)-{2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzenesulfonate
Catalog ID
STK552109
SMILES O=C1N=C(S/C/1=C/c1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccc(c(c1)Cl)C
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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 C27H24ClN3O4S2 MW 554.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN3O4S2/c1-19-7-10-21(18-24(19)28)30-13-15-31(16-14-30)27-29-26(32)25(36-27)17-20-8-11-22(12-9-20)35-37(33,34)23-5-3-2-4-6-23/h2-12,17-18H,13-16H2,1H3/b25-17+InChIKey
IOHRAESZDUJPEI-KOEQRZSOSA-NSynonyms
(4((E)(2(4(3CHLORO4METHYLPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
(E)4((2(4(3chloro4methylphenyl)piperazin1yl)4oxothiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
4((E)(2(4(3chloro4methylphenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)S3)Cl
InChI=1SC27H24ClN3O4S2c11971021(1824(19)28)30131531(161430)272926(32)25(3627)172081122(12920)3537(3334)235324623h2121718H1316H21H3b2517+
MFCD03677848
O=C1N=C(SC1=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccc(c(c1)Cl)C
ZINC000097966702
ZINC97966702
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