Vitas-M small molecule compound
(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL045648
SMILES Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)[N+](=O)[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 C21H16N4O5S MW 436.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O5S/c1-11-3-5-14(6-4-11)18(26)16-17(13-7-9-15(10-8-13)25(29)30)24(20(28)19(16)27)21-23-22-12(2)31-21/h3-10,17,26H,1-2H3/b18-16+InChIKey
YHSZTULQMVYRNP-FBMGVBCBSA-NSynonyms
(4E)4(hydroxy(4methylphenyl)methylidene)1(5methyl134thiadiazol2yl)5(4nitrophenyl)pyrrolidine23dione
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)(N+)(=O)(O))O
Cc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc(cc2)C)O)C1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H16N4O5Sc1113514(6411)18(26)1617(137915(10813)25(29)30)24(20(28)19(16)27)21232212(2)3121h3101726H12H3b1816+
MFCD03817572
ZINC000102878777
ZINC000102878779
Check stock
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