Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK569237
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C32H30N2O6S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O6S/c1-4-5-11-38-22-8-6-7-20(16-22)28-26(29(35)21-9-10-23-24(17-21)40-13-12-39-23)30(36)31(37)34(28)32-33-27-19(3)14-18(2)15-25(27)41-32/h6-10,14-17,28,35H,4-5,11-13H2,1-3H3/b29-26+InChIKey
UPIQRAGMWFYBMF-PBBVDAKRSA-NSynonyms
(4E)5(3butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC32H30N2O6Sc14511382286720(1622)2826(29(35)219102324(1721)4013123923)30(36)31(37)34(28)32332719(3)1418(2)1525(27)4132h61014172835H451113H213H3b2926+
MFCD05726164
ZINC000102556370
ZINC000102556378
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