Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK569275
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C35H36N2O6S MW 612.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O6S/c1-5-7-8-15-42-27-14-10-22(19-28(27)41-6-2)31-30(32(38)23-11-13-26-24(18-23)17-21(4)43-26)33(39)34(40)37(31)35-36-25-12-9-20(3)16-29(25)44-35/h9-14,16,18-19,21,31,38H,5-8,15,17H2,1-4H3/b32-30+InChIKey
KPTNLZOWTILMRI-NHQGMKOOSA-NSynonyms
1203352-22-0(4E)5(3ethoxy4(pentyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
(4E)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
1203352220
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC35H36N2O6Sc1578154227141022(1928(27)4162)3130(32(38)2311132624(1823)1721(4)4326)33(39)34(40)37(31)35362512920(3)1629(25)4435h914161819213138H581517H214H3b3230+
MFCD05732947
ZINC000102556526
ZINC000102656068
Check stock
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Check stock on Vitas-MAvailable files
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