Vitas-M small molecule compound

(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-3-cyclohexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK580058
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/NCc1ccc2c(c1)OCO2

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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 C21H25N3O5 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5/c1-2-15(22-11-13-8-9-16-17(10-13)29-12-28-16)18-19(25)23-21(27)24(20(18)26)14-6-4-3-5-7-14/h8-10,14,22H,2-7,11-12H2,1H3,(H,23,25,27)/b18-15+
InChIKey
FEUKIFCTVKIQLM-OBGWFSINSA-N
Synonyms

(5E)1CYCLOHEXYL5(1(PIPERONYLAMINO)PROPYLIDENE)BARBITURICACID
(5E)5(1((13benzodioxol5ylmethyl)amino)propylidene)3cyclohexyl6hydroxypyrimidine24(3H5H)dione
(5E)5(1(13BENZODIOXOL5YLMETHYLAMINO)PROPYLIDENE)1CYCLOHEXYL13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)C1CCCCC1)O)NCc1ccc2c(c1)OCO2
CCC(=C1C(=O)NC(=O)N(C1=O)C2CCCCC2)NCC3=CC4=C(C=C3)OCO4
InChI=1SC21H25N3O5c1215(221113891617(1013)29122816)1819(25)2321(27)24(20(18)26)146435714h8101422H271112H21H3(H232527)b1815+
MFCD07197751
ZINC000020330936
ZINC20330936

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Available files

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