Vitas-M small molecule compound
(5E)-1-[2-(trifluoromethyl)phenyl]-5-{1-[(3,4,5-trimethoxybenzyl)amino]ethylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL447360
SMILES COc1c(OC)cc(cc1OC)CN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1C(F)(F)F)/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 C23H22F3N3O6 MW 493.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3N3O6/c1-12(27-11-13-9-16(33-2)19(35-4)17(10-13)34-3)18-20(30)28-22(32)29(21(18)31)15-8-6-5-7-14(15)23(24,25)26/h5-10,27H,11H2,1-4H3,(H,28,30,32)/b18-12+InChIKey
SCUOQHCRCDDQID-LDADJPATSA-NSynonyms
(5E)1(2(trifluoromethyl)phenyl)5(1((345trimethoxybenzyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
(5E)1(2(trifluoromethyl)phenyl)5(1((345trimethoxyphenyl)methylamino)ethylidene)13diazinane246trione
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C(F)(F)F)NCC3=CC(=C(C(=C3)OC)OC)OC
COc1c(OC)cc(cc1OC)CNC(=C1C(=O)NC(=O)N(C1=O)c1ccccc1C(F)(F)F)C
InChI=1SC23H22F3N3O6c112(271113916(332)19(354)17(1013)343)1820(30)2822(32)29(21(18)31)15865714(15)23(2425)26h51027H11H214H3(H283032)b1812+
MFCD06243637
ZINC000025178954
ZINC25178954
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