Vitas-M small molecule compound
(4E)-5-(4-chlorophenyl)-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
STK573286
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1nnc(s1)C)/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 C23H18ClN3O4S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O4S/c1-11-9-15-10-14(5-8-17(15)31-11)20(28)18-19(13-3-6-16(24)7-4-13)27(22(30)21(18)29)23-26-25-12(2)32-23/h3-8,10-11,19,28H,9H2,1-2H3/b20-18+InChIKey
QCTPWGBCUSQMQS-CZIZESTLSA-NSynonyms
897836-26-9(4E)5(4chlorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
897836269
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)C)C5=CC=C(C=C5)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1nnc(s1)C)O
InChI=1SC23H18ClN3O4Sc1119151014(5817(15)3111)20(28)1819(133616(24)7413)27(22(30)21(18)29)23262512(2)3223h3810111928H9H212H3b2018+
MFCD07199030
ZINC000102571547
ZINC000102658800
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