Vitas-M small molecule compound

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

Catalog ID
STK854783
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1OC)c1ccccc1Cl

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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 C20H16ClN3O5 MW 413.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O5/c1-28-14-10-6-5-9-13(14)23-18(25)15-16(20(27)29-2)22-24(17(15)19(23)26)12-8-4-3-7-11(12)21/h3-10,15,17H,1-2H3
InChIKey
ASMIFBZETFUJDX-UHFFFAOYSA-N
Synonyms
1009554-51-1
1009554511
COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4Cl
InChI=1SC20H16ClN3O5c128141065913(14)2318(25)1516(20(27)292)2224(17(15)19(23)26)12843711(12)21h3101517H12H3
methyl1(2chlorophenyl)5(2methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL1(2CHLOROPHENYL)5(2METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03670399
ZINC000004281914
ZINC000100909609

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Available files

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