Vitas-M small molecule compound
ethyl 4-{[(2-bromo-6-ethoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetyl]amino}benzoate
Catalog ID
STL171858
SMILES CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OCC)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(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 C31H28BrN3O8 MW 650.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O8/c1-4-41-25-16-19(14-23-28(37)34-31(40)35(29(23)38)22-8-6-7-18(3)13-22)15-24(32)27(25)43-17-26(36)33-21-11-9-20(10-12-21)30(39)42-5-2/h6-16H,4-5,17H2,1-3H3,(H,33,36)(H,34,37,40)/b23-14-InChIKey
JWPLQCIBFGOCKO-UCQKPKSFSA-NSynonyms
355002-42-5355002425
CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OCC)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C)Br)OCC(=O)NC4=CC=C(C=C4)C(=O)OCC
ETHYL4(((2BROMO6ETHOXY4((1(3METHYLPHENYL)246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)ACETYL)AMINO)BENZOATE
ethyl4(((2bromo6ethoxy4((Z)(1(3methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)acetyl)amino)benzoate
ethyl4((2(2bromo6ethoxy4((Z)(1(3methylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)acetyl)amino)benzoate
InChI=1SC31H28BrN3O8c1441251619(142328(37)3431(40)35(29(23)38)2286718(3)1322)1524(32)27(25)431726(36)332111920(101221)30(39)4252h616H4517H213H3(H3336)(H343740)b2314
MFCD01835444
ZINC000008443655
ZINC08443655
ZINC8443655
Check stock
See real-time availability and sample size for STL171858 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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