Vitas-M small molecule compound

(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK566120
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)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 C31H30N2O4S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4S/c1-6-37-23-13-11-22(12-14-23)28(34)25-27(21-9-7-20(8-10-21)17(2)3)33(30(36)29(25)35)31-32-26-19(5)15-18(4)16-24(26)38-31/h7-17,27,34H,6H2,1-5H3/b28-25+
InChIKey
SUBHSHGZFYTVOM-AZPGRJICSA-N
Synonyms
514194-39-9
(4E)1(46dimethyl13benzothiazol2yl)4((4ethoxyphenyl)(hydroxy)methylidene)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
1(46DIMETHYLBENZOTHIAZOL2YL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
514194399
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)C(C)C)O
CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC31H30N2O4Sc163723131122(121423)28(34)2527(219720(81021)17(2)3)33(30(36)29(25)35)31322619(5)1518(4)1624(26)3831h7172734H6H215H3b2825+
MFCD03817149
ZINC000102539791
ZINC000102539799

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Available files

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