Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK855547
SMILES Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-14-6-8-17(9-7-14)21(29)19-20(16-10-12-18(13-11-16)25(3,4)5)28(23(31)22(19)30)24-27-26-15(2)32-24/h6-13,20,29H,1-5H3/b21-19+InChIKey
BIBJWBBIWYIXEY-XUTLUUPISA-NSynonyms
(4E)5(4tertbutylphenyl)4(hydroxy(4methylphenyl)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)C(C)(C)C)O
Cc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc(cc2)C)O)C1c1ccc(cc1)C(C)(C)C
InChI=1SC25H25N3O3Sc1146817(9714)21(29)1920(16101218(131116)25(34)5)28(23(31)22(19)30)24272615(2)3224h6132029H15H3b2119+
MFCD08732133
ZINC000102804630
ZINC000102804633
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