Vitas-M small molecule compound
(5Z)-1-(4-bromo-3-methylphenyl)-5-(4-tert-butylbenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK202132
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(cc1)C(C)(C)C)c1ccc(c(c1)C)Br
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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 C22H21BrN2O3 MW 441.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O3/c1-13-11-16(9-10-18(13)23)25-20(27)17(19(26)24-21(25)28)12-14-5-7-15(8-6-14)22(2,3)4/h5-12H,1-4H3,(H,24,26,28)/b17-12-InChIKey
PKLPIRIZQONDCC-ATVHPVEESA-NSynonyms
(5Z)1(4BROMO3METHYLPHENYL)5((4TERTBUTYLPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(4BROMO3METHYLPHENYL)5(4TERTBUTYLBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
5((4(TERTBUTYL)PHENYL)METHYLENE)1(4BROMO3METHYLPHENYL)13DIHYDROPYRIMIDINE246TRIONE
CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)C(=O)NC2=O)Br
InChI=1SC22H21BrN2O3c1131116(91018(13)23)2520(27)17(19(26)2421(25)28)12145715(8614)22(23)4h512H14H3(H242628)b1712
MFCD02904883
O=C1NC(=O)N(C(=O)C1=Cc1ccc(cc1)C(C)(C)C)c1ccc(c(c1)C)Br
ZINC000006768516
ZINC06768516
ZINC6768516
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