Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL052199
SMILES CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C29H23ClN2O5S MW 547.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O5S/c1-3-36-20-6-4-5-16(13-20)25-24(26(33)17-7-10-22-18(12-17)11-15(2)37-22)27(34)28(35)32(25)29-31-21-9-8-19(30)14-23(21)38-29/h4-10,12-15,25,33H,3,11H2,1-2H3/b26-24+InChIKey
KAFUPGWNMLNMOQ-SHHOIMCASA-NSynonyms
850825-46-6(4E)1(6chloro13benzothiazol2yl)5(3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
850825466
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl
CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC29H23ClN2O5Sc13362064516(1320)2524(26(33)177102218(1217)1115(2)3722)27(34)28(35)32(25)2931219819(30)1423(21)3829h41012152533H311H212H3b2624+
MFCD05735882
ZINC000102889753
ZINC000102889758
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