Vitas-M small molecule compound
(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK600720
SMILES COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/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 C28H23ClN2O5S MW 535.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O5S/c1-4-15-5-11-19-22(13-15)37-28(30-19)31-24(17-8-12-20(35-2)21(14-17)36-3)23(26(33)27(31)34)25(32)16-6-9-18(29)10-7-16/h5-14,24,32H,4H2,1-3H3/b25-23+InChIKey
XNRNCESFGFCBIM-WJTDDFOZSA-NSynonyms
618424-64-9(4E)4((4chlorophenyl)(hydroxy)methylidene)5(34dimethoxyphenyl)1(6ethyl13benzothiazol2yl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(34DIMETHOXYPHENYL)1(6ETHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
5(34DIMETHOXYPHENYL)4((4CHLOROPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY3PYRROLIN2ONE
618424649
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC(=C(C=C5)OC)OC
COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)O
InChI=1SC28H23ClN2O5Sc14155111922(1315)3728(3019)3124(1781220(352)21(1417)363)23(26(33)27(31)34)25(32)166918(29)10716h5142432H4H213H3b2523+
MFCD08729447
ZINC000102690319
ZINC000102690327
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.