Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK568196
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)OC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C29H24N2O7S MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S/c1-3-36-19-8-9-20-23(15-19)39-29(30-20)31-25(16-5-4-6-18(13-16)35-2)24(27(33)28(31)34)26(32)17-7-10-21-22(14-17)38-12-11-37-21/h4-10,13-15,25,32H,3,11-12H2,1-2H3/b26-24+InChIKey
FDSQAZKSSCLRKZ-SHHOIMCASA-NSynonyms
618857-35-5(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(3methoxyphenyl)pyrrolidine23dione
618857355
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)OC)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC29H24N2O7Sc133619892023(1519)3929(3020)3125(1654618(1316)352)24(27(33)28(31)34)26(32)177102122(1417)3812113721h41013152532H31112H212H3b2624+
MFCD05726477
ZINC000102551076
ZINC000102551085
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