Vitas-M small molecule compound
(4E)-5-(3,4-dichlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK566900
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)c1sc2c(n1)c(C)cc(c2)C)/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 C29H22Cl2N2O4S MW 565.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N2O4S/c1-13-8-14(2)24-22(9-13)38-29(32-24)33-25(16-4-6-19(30)20(31)12-16)23(27(35)28(33)36)26(34)17-5-7-21-18(11-17)10-15(3)37-21/h4-9,11-12,15,25,34H,10H2,1-3H3/b26-23+InChIKey
LLRCBKKAZMGIJC-WNAAXNPUSA-NSynonyms
(4E)5(34dichlorophenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC(=C(C=C6)Cl)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC29H22Cl2N2O4Sc113814(2)2422(913)3829(3224)3325(164619(30)20(31)1216)23(27(35)28(33)36)26(34)17572118(1117)1015(3)3721h491112152534H10H213H3b2623+
MFCD05731207
ZINC000102544527
ZINC000102650942
Check stock
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Check stock on Vitas-MAvailable files
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