Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL048693
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
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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 C33H32N2O7S MW 600.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O7S/c1-3-5-6-14-40-22-9-7-8-20(17-22)29-28(30(36)21-10-13-25-26(18-21)42-16-15-41-25)31(37)32(38)35(29)33-34-24-12-11-23(39-4-2)19-27(24)43-33/h7-13,17-19,29,36H,3-6,14-16H2,1-2H3/b30-28+InChIKey
YIKQTLLLXBSNNU-SJCQXOIGSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC33H32N2O7Sc135614402297820(1722)2928(30(36)2110132526(1821)4216154125)31(37)32(38)35(29)333424121123(3942)1927(24)4333h71317192936H361416H212H3b3028+
MFCD05729189
ZINC000102884509
ZINC000102884510
Check stock
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Check stock on Vitas-MAvailable files
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