Vitas-M small molecule compound
ethyl 5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL001560
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1OC
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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 C21H18BrN3O5 MW 472.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O5/c1-3-30-21(28)17-16-18(25(23-17)14-6-4-5-7-15(14)29-2)20(27)24(19(16)26)13-10-8-12(22)9-11-13/h4-11,16,18H,3H2,1-2H3InChIKey
CCFBMADYEMOMBJ-UHFFFAOYSA-NSynonyms
1022474-67-41022474674
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4OC
ethyl5(4bromophenyl)1(2methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4BROMOPHENYL)1(2METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC21H18BrN3O5c133021(28)171618(25(2317)14645715(14)292)20(27)24(19(16)26)1310812(22)91113h4111618H3H212H3
MFCD03670645
ZINC000009075408
ZINC000100909532
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