Vitas-M small molecule compound

(5E)-5-[4-(butan-2-yloxy)-3-methoxybenzylidene]-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK169451
SMILES CCC(Oc1ccc(cc1OC)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl)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 C22H21ClN2O5 MW 428.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5/c1-4-13(2)30-18-10-5-14(12-19(18)29-3)11-17-20(26)24-22(28)25(21(17)27)16-8-6-15(23)7-9-16/h5-13H,4H2,1-3H3,(H,24,26,28)/b17-11+
InChIKey
KLNHNFXKSZEVOS-GZTJUZNOSA-N
Synonyms

(5E)5((4BUTAN2YLOXY3METHOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(4(BUTAN2YLOXY)3METHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OC
CCC(Oc1ccc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl)C
InChI=1SC22H21ClN2O5c1413(2)301810514(1219(18)293)111720(26)2422(28)25(21(17)27)168615(23)7916h513H4H213H3(H242628)b1711+
MFCD03707091
ZINC000001153614
ZINC000001153616

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Available files

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