Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL056097
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C34H34N2O7S MW 614.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O7S/c1-4-6-7-14-41-24-12-9-21(18-26(24)40-5-2)30-29(31(37)22-10-13-25-27(19-22)43-16-15-42-25)32(38)33(39)36(30)34-35-23-11-8-20(3)17-28(23)44-34/h8-13,17-19,30,37H,4-7,14-16H2,1-3H3/b31-29+InChIKey
HCJFTVHQOUHVGT-OWWNRXNESA-NSynonyms
618859-03-3(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(pentyloxy)phenyl)1(6methyl13benzothiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PENTOXYPHENYL)1(6METHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
618859033
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)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC34H34N2O7Sc146714412412921(1826(24)4052)3029(31(37)2210132527(1922)4316154225)32(38)33(39)36(30)34352311820(3)1728(23)4434h81317193037H471416H213H3b3129+
MFCD05735996
ZINC000102895574
ZINC000102895575
Check stock
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Check stock on Vitas-MAvailable files
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