Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK594746
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nccs1
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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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-3-4-11-33-20-7-5-6-17(15-20)23-22(25(31)26(32)29(23)27-28-10-12-35-27)24(30)18-8-9-21-19(14-18)13-16(2)34-21/h5-10,12,14-16,23,30H,3-4,11,13H2,1-2H3/b24-22+InChIKey
UTLLKIJOEKLOEC-ZNTNEXAZSA-NSynonyms
893699-62-2(4E)5(3butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(13thiazol2yl)pyrrolidine23dione
893699622
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC=CS5
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nccs1
InChI=1SC27H26N2O5Sc13411332075617(1520)2322(25(31)26(32)29(23)272810123527)24(30)18892119(1418)1316(2)3421h5101214162330H341113H212H3b2422+
MFCD07201341
ZINC000102615747
ZINC000102678048
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