Vitas-M small molecule compound
2-bromo-4-{(Z)-[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-ethoxyphenyl acetate
Catalog ID
STL431748
SMILES CCOc1cc(/C=C\2/C(=O)NN(C2=O)c2ccc(cc2)Br)cc(c1OC(=O)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 C20H16Br2N2O5 MW 524.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Br2N2O5/c1-3-28-17-10-12(9-16(22)18(17)29-11(2)25)8-15-19(26)23-24(20(15)27)14-6-4-13(21)5-7-14/h4-10H,3H2,1-2H3,(H,23,26)/b15-8-InChIKey
HKPSJEHXWQLZGT-NVNXTCNLSA-NSynonyms
(2bromo4((Z)(1(4bromophenyl)35dioxopyrazolidin4ylidene)methyl)6ethoxyphenyl)acetate
2bromo4((Z)(1(4bromophenyl)35dioxopyrazolidin4ylidene)methyl)6ethoxyphenylacetate
CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)Br)Br)OC(=O)C
CCOc1cc(C=C2C(=O)NN(C2=O)c2ccc(cc2)Br)cc(c1OC(=O)C)Br
InChI=1SC20H16Br2N2O5c1328171012(916(22)18(17)2911(2)25)81519(26)2324(20(15)27)146413(21)5714h410H3H212H3(H2326)b158
MFCD03307145
ZINC000100164414
ZINC100164414
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