Vitas-M small molecule compound

(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK595910
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C32H34N2O8S MW 606.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O8S/c1-6-39-24-15-20(7-9-22(24)40-12-11-17(2)3)27-26(28(36)21-8-10-23-25(16-21)42-14-13-41-23)29(37)31(38)34(27)32-33-18(4)30(43-32)19(5)35/h7-10,15-17,27,36H,6,11-14H2,1-5H3/b28-26+
InChIKey
DWEBXNJBKJALQA-BYCLXTJYSA-N
Synonyms
620573-11-7
(4E)1(5acetyl4methyl13thiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
620573117
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC32H34N2O8Sc1639241520(7922(24)40121117(2)3)2726(28(36)218102325(1621)4214134123)29(37)31(38)34(27)323318(4)30(4332)19(5)35h71015172736H61114H215H3b2826+
MFCD07209503
ZINC000102619189
ZINC000102619196

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Available files

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