Vitas-M small molecule compound

(5E)-5-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK176843
SMILES C=CCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)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 C23H21BrN2O5 MW 485.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O5/c1-5-6-31-20-18(24)11-15(12-19(20)30-4)10-17-21(27)25-23(29)26(22(17)28)16-8-13(2)7-14(3)9-16/h5,7-12H,1,6H2,2-4H3,(H,25,27,29)/b17-10+
InChIKey
ZKUMOOJUTGLERU-LICLKQGHSA-N
Synonyms

(5E)5((3bromo5methoxy4prop2enoxyphenyl)methylidene)1(35dimethylphenyl)13diazinane246trione
(5E)5(3BROMO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C=CCOc1c(Br)cc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC=C)OC)C(=O)NC2=O)C
InChI=1SC23H21BrN2O5c156312018(24)1115(1219(20)304)101721(27)2523(29)26(22(17)28)16813(2)714(3)916h5712H16H224H3(H252729)b1710+
MFCD01610248
ZINC000009310898
ZINC09310898
ZINC9310898

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Available files

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