Vitas-M small molecule compound

(5Z)-1-(4-chlorophenyl)-5-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK171019
SMILES C=CCc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1O)OC

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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 C21H17ClN2O5 MW 412.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O5/c1-3-4-13-9-12(11-17(29-2)18(13)25)10-16-19(26)23-21(28)24(20(16)27)15-7-5-14(22)6-8-15/h3,5-11,25H,1,4H2,2H3,(H,23,26,28)/b16-10-
InChIKey
QJTAWHIEWLCIJS-YBEGLDIGSA-N
Synonyms

(5Z)1(4CHLOROPHENYL)5((4HYDROXY3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(4CHLOROPHENYL)5(4HYDROXY3METHOXY5(PROP2EN1YL)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C=CCc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1O)OC
COC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI=1SC21H17ClN2O5c13413912(1117(292)18(13)25)101619(26)2321(28)24(20(16)27)157514(22)6815h351125H14H22H3(H232628)b1610
MFCD02379721
ZINC000014010796
ZINC14010796

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Available files

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