Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[3-(4-chlorophenoxy)propoxy]-5-methoxybenzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK026568
SMILES COc1cc(cc(c1OCCCOc1ccc(cc1)Cl)Br)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C27H21BrCl2N2O6 MW 620.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrCl2N2O6/c1-36-23-15-16(14-22(28)24(23)38-12-2-11-37-20-9-5-18(30)6-10-20)13-21-25(33)31-27(35)32(26(21)34)19-7-3-17(29)4-8-19/h3-10,13-15H,2,11-12H2,1H3,(H,31,33,35)/b21-13-InChIKey
ZZYLGECEUUPDII-BKUYFWCQSA-NSynonyms
(5Z)5((3bromo4(3(4chlorophenoxy)propoxy)5methoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(3BROMO4(3(4CHLOROPHENOXY)PROPOXY)5METHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCCCOC4=CC=C(C=C4)Cl
COc1cc(cc(c1OCCCOc1ccc(cc1)Cl)Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC27H21BrCl2N2O6c136231516(1422(28)24(23)381221137209518(30)61020)132125(33)3127(35)32(26(21)34)197317(29)4819h3101315H21112H21H3(H313335)b2113
MFCD05976011
STK026568
ZINC000097958104
ZINC97958104
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