Vitas-M small molecule compound
(4E)-4-{3-bromo-5-methoxy-4-[3-(3-methylphenoxy)propoxy]benzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK061037
SMILES COc1cc(/C=C/2\C(=O)NN(C2=O)c2ccccc2)cc(c1OCCCOc1cccc(c1)C)Br
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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 C27H25BrN2O5 MW 537.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O5/c1-18-8-6-11-21(14-18)34-12-7-13-35-25-23(28)16-19(17-24(25)33-2)15-22-26(31)29-30(27(22)32)20-9-4-3-5-10-20/h3-6,8-11,14-17H,7,12-13H2,1-2H3,(H,29,31)/b22-15+InChIKey
CHEJLRZERKDBFH-PXLXIMEGSA-NSynonyms
(4E)4((3BROMO5METHOXY4(3(3METHYLPHENOXY)PROPOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3BROMO5METHOXY4(3(3METHYLPHENOXY)PROPOXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
4(3BROMO5METHOXY4(3(3METHYLPHENOXY)PROPOXY)BENZYLIDENE)1PHENYL35PYRAZOLIDINEDIONE
CC1=CC(=CC=C1)OCCCOC2=C(C=C(C=C2Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)OC
COc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1OCCCOc1cccc(c1)C)Br
InChI=1SC27H25BrN2O5c118861121(1418)3412713352523(28)1619(1724(25)332)152226(31)2930(27(22)32)2094351020h368111417H71213H212H3(H2931)b2215+
MFCD03083753
STK061037
ZINC000008453135
ZINC08453135
ZINC8453135
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