Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL150797
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccccc2)\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 C28H22N2O6S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O6S/c1-3-36-19-13-14-20-21(15-19)37-28(29-20)30-23(16-9-11-18(12-10-16)27(34)35-2)22(25(32)26(30)33)24(31)17-7-5-4-6-8-17/h4-15,23,31H,3H2,1-2H3/b24-22+InChIKey
SQILUXOIXGMULL-ZNTNEXAZSA-NSynonyms
514192-67-7514192677
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)C(=C(c2ccccc2)O)C(=O)C1=O
InChI=1SC28H22N2O6Sc13361913142021(1519)3728(2920)3023(1691118(121016)27(34)352)22(25(32)26(30)33)24(31)177546817h4152331H3H212H3b2422+
methyl4((3E)1(6ethoxy13benzothiazol2yl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(6ETHOXYBENZOTHIAZOL2YL)4HYDROXY5OXO3(PHENYLCARBONYL)3PYRROLIN2YL)BENZOATE
MFCD03817010
ZINC000102931554
ZINC000102931557
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