Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL042115
SMILES CCCCOc1ccc(cc1OC)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 C32H30N2O8S MW 602.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O8S/c1-4-5-12-40-22-10-6-18(15-24(22)39-3)28-27(29(35)19-7-11-23-25(16-19)42-14-13-41-23)30(36)31(37)34(28)32-33-21-9-8-20(38-2)17-26(21)43-32/h6-11,15-17,28,35H,4-5,12-14H2,1-3H3/b29-27+InChIKey
MGQLZCVKHRLHEQ-ORIPQNMZSA-NSynonyms
618857-07-1(4E)5(4butoxy3methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
618857071
CCCCOC1=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)OC)OC
CCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC32H30N2O8Sc14512402210618(1524(22)393)2827(29(35)197112325(1619)4214134123)30(36)31(37)34(28)3233219820(382)1726(21)4332h61115172835H451214H213H3b2927+
MFCD07212887
ZINC000102869525
ZINC000102869527
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