Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK622594
SMILES COc1cccc(c1)/C(=C\1/C(c2ccccc2OC)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 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(19-10-5-6-11-20(19)35-4)22(26(32)27(30)33)25(31)17-8-7-9-18(14-17)34-3/h5-14,24,31H,1-4H3/b25-22+InChIKey
NWPKOCYOKDYDSH-YYDJUVGSSA-NSynonyms
618417-30-4(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(3methoxyphenyl)methylidene)5(2methoxyphenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY5(2METHOXYPHENYL)4((3METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
618417304
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=CC=C5OC)C
COc1cccc(c1)C(=C1C(c2ccccc2OC)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC28H24N2O5Sc1151216(2)2321(1315)3628(2923)3024(1910561120(19)354)22(26(32)27(30)33)25(31)1787918(1417)343h5142431H14H3b2522+
MFCD09789313
ZINC000102723157
ZINC000102723159
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