Vitas-M small molecule compound

(4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione

Catalog ID
STK559748
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)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 C27H22N2O4S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S/c1-3-33-19-12-10-18(11-13-19)24(30)22-23(17-7-5-4-6-8-17)29(26(32)25(22)31)27-28-20-14-9-16(2)15-21(20)34-27/h4-15,23,30H,3H2,1-2H3/b24-22+
InChIKey
YAAAJCVYGKUIJT-ZNTNEXAZSA-N
Synonyms
514189-59-4
(4E)4((4ethoxyphenyl)(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5phenylpyrrolidine23dione
(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5PHENYLPYRROLIDINE23DIONE
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(6METHYLBENZOTHIAZOL2YL)5PHENYL3PYRROLIN2ONE
514189594
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC=C5)O
CCOc1ccc(cc1)C(=C1C(c2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC27H22N2O4Sc133319121018(111319)24(30)2223(177546817)29(26(32)25(22)31)27282014916(2)1521(20)3427h4152330H3H212H3b2422+
MFCD03800529
ZINC000102490086
ZINC000102490094

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Available files

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