Vitas-M small molecule compound
(4Z)-4-[2,3-dibromo-5-ethoxy-4-(propan-2-yloxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL172563
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)c(c(c1OC(C)C)Br)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 C22H22Br2N2O3 MW 522.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Br2N2O3/c1-5-28-18-12-15(19(23)20(24)21(18)29-13(2)3)11-17-14(4)25-26(22(17)27)16-9-7-6-8-10-16/h6-13H,5H2,1-4H3/b17-11-InChIKey
SOGRGPXBAJSUJR-BOPFTXTBSA-NSynonyms
(4Z)4((23dibromo5ethoxy4propan2yloxyphenyl)methylidene)5methyl2phenylpyrazol3one
(4Z)4(23dibromo5ethoxy4(propan2yloxy)benzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CCOC1=C(C(=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)Br)OC(C)C
CCOc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)c(c(c1OC(C)C)Br)Br
InChI=1SC22H22Br2N2O3c1528181215(19(23)20(24)21(18)2913(2)3)111714(4)2526(22(17)27)1697681016h613H5H214H3b1711
MFCD04047612
ZINC000102438003
ZINC102438003
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