Vitas-M small molecule compound

(5E)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-3-heptyl-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STL056030
SMILES CCCCCCCN1C(=O)N=C(/C(=C\c2cn(c3c2cccc3)Cc2ccccc2)/C1=O)O

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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 C27H29N3O3 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3/c1-2-3-4-5-11-16-30-26(32)23(25(31)28-27(30)33)17-21-19-29(18-20-12-7-6-8-13-20)24-15-10-9-14-22(21)24/h6-10,12-15,17,19H,2-5,11,16,18H2,1H3,(H,28,31,33)/b23-17+
InChIKey
MGOYZVKDBVPYIH-HAVVHWLPSA-N
Synonyms
714225-78-2
714225782
CCCCCCCN1C(=O)N=C(C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C1=O)O
MFCD05727803
ZINC000001796402

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.