Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK599824
SMILES CCOc1cc(ccc1O)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
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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 C29H24N2O8S MW 560.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O8S/c1-3-37-21-12-15(4-8-19(21)32)25-24(26(33)16-5-9-20-22(13-16)39-11-10-38-20)27(34)28(35)31(25)29-30-18-7-6-17(36-2)14-23(18)40-29/h4-9,12-14,25,32-33H,3,10-11H2,1-2H3/b26-24+InChIKey
DASLQKPTAPYKNC-SHHOIMCASA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4hydroxyphenyl)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OC)O
CCOc1cc(ccc1O)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC29H24N2O8Sc1337211215(4819(21)32)2524(26(33)16592022(1316)3911103820)27(34)28(35)31(25)2930187617(362)1423(18)4029h491214253233H31011H212H3b2624+
MFCD07205148
ZINC000102628171
ZINC000102628179
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