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-methoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL053761
SMILES CCCCCOc1ccc(cc1OC)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 C34H34N2O8S MW 630.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O8S/c1-4-6-7-14-42-24-12-8-20(17-26(24)40-3)30-29(31(37)21-9-13-25-27(18-21)44-16-15-43-25)32(38)33(39)36(30)34-35-23-11-10-22(41-5-2)19-28(23)45-34/h8-13,17-19,30,37H,4-7,14-16H2,1-3H3/b31-29+InChIKey
CZCLGMGOHAQFNX-OWWNRXNESA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(3methoxy4(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)5(3METHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
CCCCCOC1=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)OCC)OC
CCCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC34H34N2O8Sc146714422412820(1726(24)403)3029(31(37)219132527(1821)4416154325)32(38)33(39)36(30)343523111022(4152)1928(23)4534h81317193037H471416H213H3b3129+
MFCD05729395
ZINC000102893408
ZINC000102893411
Check stock
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Check stock on Vitas-MAvailable files
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