Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethoxy-3-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK570663
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
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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 C30H26N2O7S MW 558.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O7S/c1-4-37-20-9-6-17(14-22(20)36-3)26-25(27(33)18-7-10-21-23(15-18)39-12-11-38-21)28(34)29(35)32(26)30-31-19-8-5-16(2)13-24(19)40-30/h5-10,13-15,26,33H,4,11-12H2,1-3H3/b27-25+InChIKey
YXEUHKLEMZFMIR-IMVLJIQESA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4ethoxy3methoxyphenyl)1(6methyl13benzothiazol2yl)pyrrolidine23dione
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC30H26N2O7Sc1437209617(1422(20)363)2625(27(33)187102123(1518)3912113821)28(34)29(35)32(26)3031198516(2)1324(19)4030h51013152633H41112H213H3b2725+
MFCD05728256
ZINC000102563541
ZINC000102563548
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