Vitas-M small molecule compound
(4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL048521
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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 C31H30N2O7S MW 574.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O7S/c1-6-17-8-13-21-24(14-17)41-31(32-21)33-26(19-15-22(37-3)29(39-5)23(16-19)38-4)25(28(35)30(33)36)27(34)18-9-11-20(12-10-18)40-7-2/h8-16,26,34H,6-7H2,1-5H3/b27-25+InChIKey
LJGAGEOLJCPNAX-IMVLJIQESA-NSynonyms
(4E)4((4ethoxyphenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)5(345trimethoxyphenyl)pyrrolidine23dione
(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
4((4ETHOXYPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OCC)O)C(=O)C3=O)C5=CC(=C(C(=C5)OC)OC)OC
CCOc1ccc(cc1)C(=C1C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC31H30N2O7Sc16178132124(1417)4131(3221)3326(191522(373)29(395)23(1619)384)25(28(35)30(33)36)27(34)1891120(121018)4072h8162634H67H215H3b2725+
MFCD05730033
ZINC000102884350
ZINC000102884352
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.