Vitas-M small molecule compound
ethyl 4'-(4-bromophenyl)-1-oxo-2',3,4,4'-tetrahydro-1H-spiro[naphthalene-2,3'-pyrazole]-5'-carboxylate
Catalog ID
STL240031
SMILES CCOC(=O)C1=NNC2(C1c1ccc(cc1)Br)CCc1c(C2=O)cccc1
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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 C21H19BrN2O3 MW 427.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O3/c1-2-27-20(26)18-17(14-7-9-15(22)10-8-14)21(24-23-18)12-11-13-5-3-4-6-16(13)19(21)25/h3-10,17,24H,2,11-12H2,1H3InChIKey
VWXLTEARPYDCAD-UHFFFAOYSA-NSynonyms
844823-34-3844823343
CCOC(=O)C1=NNC2(C1C3=CC=C(C=C3)Br)CCC4=CC=CC=C4C2=O
ethyl4(4bromophenyl)1oxo2344tetrahydro1Hspiro(naphthalene23pyrazole)5carboxylate
ethyl4(4bromophenyl)4oxospiro(12dihydronaphthalene3514dihydropyrazole)3carboxylate
InChI=1SC21H19BrN2O3c122720(26)1817(147915(22)10814)21(242318)121113534616(13)19(21)25h3101724H21112H21H3
MFCD04160648
ZINC000009216365
ZINC000009216368
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