Vitas-M small molecule compound

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

Catalog ID
STK709787
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)I)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 C15H12IN3O5 MW 441.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12IN3O5/c1-7(20)19-12-10(11(17-19)15(23)24-2)13(21)18(14(12)22)9-5-3-8(16)4-6-9/h3-6,10,12H,1-2H3
InChIKey
JXDAKCXPAFIESZ-UHFFFAOYSA-N
Synonyms
956796-50-2
956796502
CC(=O)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)I
InChI=1SC15H12IN3O5c17(20)191210(11(1719)15(23)242)13(21)18(14(12)22)9538(16)469h361012H12H3
methyl1acetyl5(4iodophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL1ACETYL5(4IODOPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04197035
ZINC000018045866
ZINC000100170990

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Available files

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