Vitas-M small molecule compound
(4E)-5-(4-ethylphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK571911
SMILES CCc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)C
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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 C25H23N3O4S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S/c1-4-15-5-7-16(8-6-15)21-20(23(30)24(31)28(21)25-27-26-14(3)33-25)22(29)17-9-10-19-18(12-17)11-13(2)32-19/h5-10,12-13,21,29H,4,11H2,1-3H3/b22-20+InChIKey
RKBSOCISCZGNKL-LSDHQDQOSA-NSynonyms
897836-27-0(4E)5(4ethylphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
897836270
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)C
CCc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC25H23N3O4Sc14155716(8615)2120(23(30)24(31)28(21)25272614(3)3325)22(29)179101918(1217)1113(2)3219h51012132129H411H213H3b2220+
MFCD07210723
ZINC000102567603
ZINC000102657358
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