Vitas-M small molecule compound

(4E)-5-[4-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STK582591
SMILES Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)OCc1ccccc1

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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 C29H23N3O6S MW 541.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6S/c1-17-30-31-29(39-17)32-25(19-7-10-21(11-8-19)38-16-18-5-3-2-4-6-18)24(27(34)28(32)35)26(33)20-9-12-22-23(15-20)37-14-13-36-22/h2-12,15,25,33H,13-14,16H2,1H3/b26-24+
InChIKey
FEINZSOGBWXJLB-SHHOIMCASA-N
Synonyms
618855-91-7
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5METHYL134THIADIAZOL2YL)5(4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
618855917
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)OCC6=CC=CC=C6
Cc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)OCc1ccccc1
InChI=1SC29H23N3O6Sc117303129(3917)3225(1971021(11819)3816185324618)24(27(34)28(32)35)26(33)209122223(1520)3714133622h212152533H131416H21H3b2624+
MFCD07208914
ZINC000102593709
ZINC000102593715

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Available files

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