Vitas-M small molecule compound

methyl 5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STK844178
SMILES COC(=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 C20H16BrN3O5 MW 458.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O5/c1-28-14-6-4-3-5-13(14)24-17-15(16(22-24)20(27)29-2)18(25)23(19(17)26)12-9-7-11(21)8-10-12/h3-10,15,17H,1-2H3
InChIKey
FWPHJCTZBHWGFM-UHFFFAOYSA-N
Synonyms
1022340-53-9
1022340539
COC1=CC=CC=C1N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC20H16BrN3O5c12814643513(14)241715(16(2224)20(27)292)18(25)23(19(17)26)129711(21)81012h3101517H12H3
methyl5(4bromophenyl)1(2methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4BROMOPHENYL)1(2METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03672125
ZINC000009042087
ZINC000100909500

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Available files

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