Vitas-M small molecule compound
(5E)-5-(1-{[4-(trifluoromethyl)benzyl]amino}ethylidene)-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL447358
SMILES C/C(=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)/NCc1ccc(cc1)C(F)(F)F
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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 C21H15F6N3O3 MW 471.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F6N3O3/c1-11(28-10-12-2-4-13(5-3-12)20(22,23)24)16-17(31)29-19(33)30(18(16)32)15-8-6-14(7-9-15)21(25,26)27/h2-9,28H,10H2,1H3,(H,29,31,33)/b16-11+InChIKey
QDYZFEBPDAAYTF-LFIBNONCSA-NSynonyms
(5E)1(4(TRIFLUOROMETHYL)PHENYL)5(1((4(TRIFLUOROMETHYL)PHENYL)METHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
(5E)5(1((4(trifluoromethyl)benzyl)amino)ethylidene)1(4(trifluoromethyl)phenyl)pyrimidine246(1H3H5H)trione
CC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)NCc1ccc(cc1)C(F)(F)F
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C(F)(F)F)NCC3=CC=C(C=C3)C(F)(F)F
InChI=1SC21H15F6N3O3c111(2810122413(5312)20(2223)24)1617(31)2919(33)30(18(16)32)158614(7915)21(2526)27h2928H10H21H3(H293133)b1611+
MFCD06243588
ZINC000001407367
ZINC1407367
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