Vitas-M small molecule compound

(5Z)-3-tert-butyl-5-{[(4-ethoxyphenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK567203
SMILES CCOc1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)C(C)(C)C)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 C17H21N3O4 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O4/c1-5-24-12-8-6-11(7-9-12)18-10-13-14(21)19-16(23)20(15(13)22)17(2,3)4/h6-10,18H,5H2,1-4H3,(H,19,21,23)/b13-10-
InChIKey
ILLBGDBGGTUGGV-RAXLEYEMSA-N
Synonyms

(5Z)1TERTBUTYL5(((4ETHOXYPHENYL)AMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1TERTBUTYL5((4ETHOXYANILINO)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1TERTBUTYL5(PPHENETIDINOMETHYLENE)BARBITURICACID
(5Z)3tertbutyl5(((4ethoxyphenyl)amino)methylidene)6hydroxypyrimidine24(3H5H)dione
1TERTBUTYL5(1(4ETHOXYPHENYLAMINO)METH(Z)YLIDENE)PYRIMIDINE246TRIONE
CCOC1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)C(C)(C)C
CCOc1ccc(cc1)NC=C1C(=NC(=O)N(C1=O)C(C)(C)C)O
InChI=1SC17H21N3O4c1524128611(7912)18101314(21)1916(23)20(15(13)22)17(23)4h61018H5H214H3(H192123)b1310
MFCD05725298
ZINC000005100561
ZINC05100561
ZINC5100561

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Available files

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