Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-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
STL051402
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)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 C29H23ClN2O5S MW 547.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O5S/c1-3-36-20-8-9-21-23(14-20)38-29(31-21)32-25(16-5-4-6-19(30)13-16)24(27(34)28(32)35)26(33)17-7-10-22-18(12-17)11-15(2)37-22/h4-10,12-15,25,33H,3,11H2,1-2H3/b26-24+InChIKey
OTRCYTZUMXLPFG-SHHOIMCASA-NSynonyms
877784-49-1(4E)5(3chlorophenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877784491
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(=CC=C6)Cl
CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)Cl)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC29H23ClN2O5Sc133620892123(1420)3829(3121)3225(1654619(30)1316)24(27(34)28(32)35)26(33)177102218(1217)1115(2)3722h41012152533H311H212H3b2624+
MFCD05737036
ZINC000102888849
ZINC000102888853
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