Vitas-M small molecule compound
(4E)-5-(3,4-dichlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK567274
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=O
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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 C29H22Cl2N2O5S MW 581.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N2O5S/c1-3-37-18-6-8-21-23(13-18)39-29(32-21)33-25(15-4-7-19(30)20(31)12-15)24(27(35)28(33)36)26(34)16-5-9-22-17(11-16)10-14(2)38-22/h4-9,11-14,25,34H,3,10H2,1-2H3/b26-24+InChIKey
PGLWOUMMOXGRTE-SHHOIMCASA-NSynonyms
893697-74-0(4E)5(34dichlorophenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893697740
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OC(C5)C)O)C(=O)C3=O)C6=CC(=C(C=C6)Cl)Cl
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(c(c2)Cl)Cl)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC29H22Cl2N2O5Sc133718682123(1318)3929(3221)3325(154719(30)20(31)1215)24(27(35)28(33)36)26(34)16592217(1116)1014(2)3822h4911142534H310H212H3b2624+
MFCD05737488
ZINC000102546644
ZINC000102651519
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