Vitas-M small molecule compound
ethyl 4-(5-{(E)-[1-(4-bromonaphthalen-1-yl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK378577
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccc(c2c1cccc2)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 C27H19BrN2O5 MW 531.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrN2O5/c1-2-34-27(33)17-9-7-16(8-10-17)24-14-11-18(35-24)15-21-25(31)29-30(26(21)32)23-13-12-22(28)19-5-3-4-6-20(19)23/h3-15H,2H2,1H3,(H,29,31)/b21-15+InChIKey
UJNYRIJOAURMIK-RCCKNPSSSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C5=CC=CC=C54)Br
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c2c1cccc2)Br
ETHYL4(5((1(4BROMO1NAPHTHYL)35DIOXO4PYRAZOLIDINYLIDENE)METHYL)2FURYL)BENZOATE
ETHYL4(5((1(4BROMONAPHTHYL)35DIOXO12DIAZOLIDIN4YLIDENE)METHYL)2FURYL)BENZOATE
ethyl4(5((E)(1(4bromonaphthalen1yl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
InChI=1SC27H19BrN2O5c123427(33)179716(81017)24141118(3524)152125(31)2930(26(21)32)23131222(28)19534620(19)23h315H2H21H3(H2931)b2115+
MFCD01787965
ZINC000000666605
ZINC00666605
ZINC666605
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