Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL040896
SMILES CCCOc1cccc(c1)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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-3-11-36-20-6-4-5-18(15-20)26-25(27(33)19-8-10-22-23(16-19)38-13-12-37-22)28(34)29(35)32(26)30-31-21-9-7-17(2)14-24(21)39-30/h4-10,14-16,26,33H,3,11-13H2,1-2H3/b27-25+InChIKey
MBUDKLVJUMSIJL-IMVLJIQESA-NSynonyms
587013-71-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5(3propoxyphenyl)pyrrolidine23dione
587013716
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC30H26N2O6Sc1311362064518(1520)2625(27(33)198102223(1619)3813123722)28(34)29(35)32(26)3031219717(2)1424(21)3930h41014162633H31113H212H3b2725+
MFCD05729071
ZINC000102866807
ZINC000102866809
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