Vitas-M small molecule compound

(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STK560086
SMILES COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)OC)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 C26H19ClN2O5S MW 506.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O5S/c1-33-17-9-5-14(6-10-17)22-21(23(30)15-3-7-16(27)8-4-15)24(31)25(32)29(22)26-28-19-12-11-18(34-2)13-20(19)35-26/h3-13,22,30H,1-2H3/b23-21+
InChIKey
NFGPANVWQHVKPP-XTQSDGFTSA-N
Synonyms
514187-11-2
(4E)4((4chlorophenyl)(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)5(4methoxyphenyl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6METHOXY13BENZOTHIAZOL2YL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
4((4CHLOROPHENYL)CARBONYL)3HYDROXY1(6METHOXYBENZOTHIAZOL2YL)5(4METHOXYPHENYL)3PYRROLIN2ONE
514187112
COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OC
COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)O
InChI=1SC26H19ClN2O5Sc133179514(61017)2221(23(30)153716(27)8415)24(31)25(32)29(22)262819121118(342)1320(19)3526h3132230H12H3b2321+
MFCD03800082
ZINC000102492892
ZINC000102492902

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.