Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK570659
SMILES CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccccc1F
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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 C29H23FN2O5S MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O5S/c1-3-36-18-9-10-21-23(14-18)38-29(31-21)32-25(19-6-4-5-7-20(19)30)24(27(34)28(32)35)26(33)16-8-11-22-17(13-16)12-15(2)37-22/h4-11,13-15,25,33H,3,12H2,1-2H3/b26-24+InChIKey
PAABTJQOSWTHBD-SHHOIMCASA-NSynonyms
862199-06-2(4E)1(6ethoxy13benzothiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
862199062
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=C6F
CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccccc1F
InChI=1SC29H23FN2O5Sc1336189102123(1418)3829(3121)3225(19645720(19)30)24(27(34)28(32)35)26(33)168112217(1316)1215(2)3722h41113152533H312H212H3b2624+
MFCD05734446
ZINC000102563521
ZINC000102655533
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