Vitas-M small molecule compound
methyl 4-{(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK563415
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-5-38-21-12-10-19(11-13-21)26(33)23-25(18-6-8-20(9-7-18)29(36)37-4)32(28(35)27(23)34)30-31-24-17(3)14-16(2)15-22(24)39-30/h6-15,25,33H,5H2,1-4H3/b26-23+InChIKey
NDZPXKXJGZACOQ-WNAAXNPUSA-NSynonyms
514194-57-1514194571
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)C(=O)OC)O
CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC30H26N2O6Sc153821121019(111321)26(33)2325(186820(9718)29(36)374)32(28(35)27(23)34)30312417(3)1416(2)1522(24)3930h6152533H5H214H3b2623+
methyl4((3E)1(46dimethyl13benzothiazol2yl)3((4ethoxyphenyl)(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(46DIMETHYL13BENZOTHIAZOL2YL)3((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(1(46DIMETHYLBENZOTHIAZOL2YL)3((4ETHOXYPHENYL)CARBONYL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD03815670
ZINC000102520297
ZINC000102520304
Check stock
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Check stock on Vitas-MAvailable files
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