Vitas-M small molecule compound

prop-2-en-1-yl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STL051664
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC=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 C34H36N2O9S MW 648.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N2O9S/c1-5-8-9-15-42-23-12-10-21(18-25(23)41-7-3)28-27(29(37)22-11-13-24-26(19-22)44-17-16-43-24)30(38)32(39)36(28)34-35-20(4)31(46-34)33(40)45-14-6-2/h6,10-13,18-19,28,37H,2,5,7-9,14-17H2,1,3-4H3/b29-27+
InChIKey
FAOJREGVWPWXOA-ORIPQNMZSA-N
Synonyms

CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC=C)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC=C
InChI=1SC34H36N2O9Sc1589154223121021(1825(23)4173)2827(29(37)2211132426(1922)4417164324)30(38)32(39)36(28)343520(4)31(4634)33(40)451462h6101318192837H25791417H2134H3b2927+
MFCD05732804
prop2en1yl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)2(3ethoxy4(pentyloxy)phenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)2(3ETHOXY4PENTOXYPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000150459743
ZINC000150459749

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Available files

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