Vitas-M small molecule compound
(4E)-5-(4-ethylphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK597692
SMILES CCc1ccc(cc1)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 C25H22N2O4S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4S/c1-3-15-4-6-16(7-5-15)21-20(23(29)24(30)27(21)25-26-10-11-32-25)22(28)17-8-9-19-18(13-17)12-14(2)31-19/h4-11,13-14,21,28H,3,12H2,1-2H3/b22-20+InChIKey
KAQMBPBZAUZKEA-LSDHQDQOSA-NSynonyms
893699-58-6(4E)5(4ethylphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(13thiazol2yl)pyrrolidine23dione
893699586
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC=CS5
CCc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nccs1
InChI=1SC25H22N2O4Sc13154616(7515)2120(23(29)24(30)27(21)252610113225)22(28)17891918(1317)1214(2)3119h41113142128H312H212H3b2220+
MFCD07211232
ZINC000102623606
ZINC000102680228
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