Vitas-M small molecule compound
(4E)-5-(3,4-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL046756
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
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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 C28H24N2O5S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5S/c1-15-12-16(2)23-21(13-15)36-28(29-23)30-24(18-10-11-19(34-3)20(14-18)35-4)22(26(32)27(30)33)25(31)17-8-6-5-7-9-17/h5-14,24,31H,1-4H3/b25-22+InChIKey
OFTCAISJJCNFPM-YYDJUVGSSA-NSynonyms
514193-57-8(4E)5(34dimethoxyphenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(phenyl)methylidene)pyrrolidine23dione
5(34DIMETHOXYPHENYL)1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4(PHENYLCARBONYL)3PYRROLIN2ONE
514193578
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC(=C(C=C5)OC)OC)C
COc1ccc(cc1OC)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC28H24N2O5Sc1151216(2)2321(1315)3628(2923)3024(18101119(343)20(1418)354)22(26(32)27(30)33)25(31)178657917h5142431H14H3b2522+
MFCD03799047
ZINC000102882010
ZINC000102882012
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