Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-{1-[(3,4,5-trimethoxybenzyl)amino]ethylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL447362
SMILES COc1c(OC)cc(cc1OC)CN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)/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 C22H22BrN3O6 MW 504.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O6/c1-12(24-11-13-9-16(30-2)19(32-4)17(10-13)31-3)18-20(27)25-22(29)26(21(18)28)15-7-5-14(23)6-8-15/h5-10,24H,11H2,1-4H3,(H,25,27,29)/b18-12+InChIKey
TXRRUHCJGIQTKR-LDADJPATSA-NSynonyms
(5E)1(4bromophenyl)5(1((345trimethoxybenzyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
(5E)1(4BROMOPHENYL)5(1((345TRIMETHOXYPHENYL)METHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br)NCC3=CC(=C(C(=C3)OC)OC)OC
COc1c(OC)cc(cc1OC)CNC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)C
InChI=1SC22H22BrN3O6c112(241113916(302)19(324)17(1013)313)1820(27)2522(29)26(21(18)28)157514(23)6815h51024H11H214H3(H252729)b1812+
MFCD06243617
ZINC000025178971
ZINC25178971
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