Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK629840
SMILES Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C(C)(C)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 C24H22ClN3O3S MW 467.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O3S/c1-13-26-27-23(32-13)28-19(14-5-9-16(10-6-14)24(2,3)4)18(21(30)22(28)31)20(29)15-7-11-17(25)12-8-15/h5-12,19,29H,1-4H3/b20-18+InChIKey
XECCXHXEANFQBK-CZIZESTLSA-NSynonyms
(4E)5(4tertbutylphenyl)4((4chlorophenyl)(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
(4E)5(4TERTBUTYLPHENYL)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(5METHYL134THIADIAZOL2YL)PYRROLIDINE23DIONE
CC1=NN=C(S1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C
Cc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccc(cc1)C(C)(C)C
InChI=1SC24H22ClN3O3Sc113262723(3213)2819(145916(10614)24(23)4)18(21(30)22(28)31)20(29)1571117(25)12815h5121929H14H3b2018+
MFCD09798668
ZINC000102733426
ZINC000102733429
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