Vitas-M small molecule compound
(4E)-5-(3,4-diethoxyphenyl)-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
STL042519
SMILES CCOc1cc(ccc1OCC)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 C32H30N2O7S MW 586.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O7S/c1-5-38-21-9-7-19(15-23(21)39-6-2)28-26(29(35)20-8-10-22-24(16-20)41-12-11-40-22)30(36)31(37)34(28)32-33-27-18(4)13-17(3)14-25(27)42-32/h7-10,13-16,28,35H,5-6,11-12H2,1-4H3/b29-26+InChIKey
VXXGKWCJZVJXKV-PBBVDAKRSA-NSynonyms
(4E)5(34diethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC32H30N2O7Sc1538219719(1523(21)3962)2826(29(35)208102224(1620)4112114022)30(36)31(37)34(28)32332718(4)1317(3)1425(27)4232h71013162835H561112H214H3b2926+
MFCD05736223
ZINC000102870103
ZINC000102870105
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