Vitas-M small molecule compound

ethyl 1-acetyl-5-(4-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STL302250
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)C(=O)C

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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 C16H14BrN3O5 MW 408.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O5/c1-3-25-16(24)12-11-13(20(18-12)8(2)21)15(23)19(14(11)22)10-6-4-9(17)5-7-10/h4-7,11,13H,3H2,1-2H3
InChIKey
VKYJUMVBVMBKBV-UHFFFAOYSA-N
Synonyms
499193-35-0
499193350
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C(=O)C
ethyl1acetyl5(4bromophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1ACETYL5(4BROMOPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H14BrN3O5c132516(24)121113(20(1812)8(2)21)15(23)19(14(11)22)10649(17)5710h471113H3H212H3
MFCD02309515
ZINC000004893461
ZINC000100568218

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Available files

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