Vitas-M small molecule compound
(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL037550
SMILES COc1ccc2c(c1)sc(n2)N1C(c2ccc(c(c2)OC)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 C27H22N2O6S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S/c1-33-17-10-11-18-21(14-17)36-27(28-18)29-23(16-9-12-19(34-2)20(13-16)35-3)22(25(31)26(29)32)24(30)15-7-5-4-6-8-15/h4-14,23,30H,1-3H3/b24-22+InChIKey
HPUROXKCOHGSHJ-ZNTNEXAZSA-NSynonyms
514186-58-4(4E)5(34dimethoxyphenyl)4(hydroxy(phenyl)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
5(34DIMETHOXYPHENYL)3HYDROXY1(6METHOXYBENZOTHIAZOL2YL)4(PHENYLCARBONYL)3PYRROLIN2ONE
514186584
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC(=C(C=C5)OC)OC
COc1ccc2c(c1)sc(n2)N1C(c2ccc(c(c2)OC)OC)C(=C(c2ccccc2)O)C(=O)C1=O
InChI=1SC27H22N2O6Sc1331710111821(1417)3627(2818)2923(1691219(342)20(1316)353)22(25(31)26(29)32)24(30)157546815h4142330H13H3b2422+
MFCD03799481
ZINC000102857898
ZINC000102857900
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