Vitas-M small molecule compound
(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK616273
SMILES CCc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=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 C26H18ClN3O5S MW 519.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN3O5S/c1-2-14-3-12-19-20(13-14)36-26(28-19)29-22(15-6-10-18(11-7-15)30(34)35)21(24(32)25(29)33)23(31)16-4-8-17(27)9-5-16/h3-13,22,31H,2H2,1H3/b23-21+InChIKey
KITBKJYAKQXECP-XTQSDGFTSA-NSynonyms
618424-27-4(4E)4((4chlorophenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)5(4NITROPHENYL)PYRROLIDINE23DIONE
4((4CHLOROPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(4NITROPHENYL)3PYRROLIN2ONE
618424274
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)(N+)(=O)(O)
CCc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
InChI=1SC26H18ClN3O5Sc12143121920(1314)3626(2819)2922(1561018(11715)30(34)35)21(24(32)25(29)33)23(31)164817(27)9516h3132231H2H21H3b2321+
MFCD08732378
ZINC000102715020
ZINC000102715022
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.