Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL049894
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)c1nccs1)/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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-15-13-18-14-17(7-10-20(18)33-15)23(30)21-22(16-5-8-19(9-6-16)27(2,3)4)29(25(32)24(21)31)26-28-11-12-34-26/h5-12,14-15,22,30H,13H2,1-4H3/b23-21+InChIKey
GPJGTWMOIIVBCG-XTQSDGFTSA-NSynonyms
893699-17-7(4E)5(4tertbutylphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(13thiazol2yl)pyrrolidine23dione
893699177
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC=CS4)C5=CC=C(C=C5)C(C)(C)C)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)c1nccs1)O
InChI=1SC27H26N2O4Sc11513181417(71020(18)3315)23(30)2122(165819(9616)27(23)4)29(25(32)24(21)31)262811123426h51214152230H13H214H3b2321+
MFCD07203100
ZINC000102735431
ZINC000102735436
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