Vitas-M small molecule compound

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

Catalog ID
STL329549
SMILES CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccccc1)c1ccc(cc1)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 C21H19N3O4 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4/c1-3-28-19(26)17-16-18(25)24(15-7-5-4-6-8-15)20(27)21(16,23-22-17)14-11-9-13(2)10-12-14/h4-12,16,23H,3H2,1-2H3
InChIKey
ILNIBIVWQAKOMP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C
ethyl46dioxo5phenyl6a(ptolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ethyl6a(4methylphenyl)46dioxo5phenyl13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL6A(4METHYLPHENYL)46DIOXO5PHENYL13ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC21H19N3O4c132819(26)171618(25)24(157546815)20(27)21(16232217)1411913(2)101214h4121623H3H212H3
MFCD01031894
ZINC000000842059
ZINC000004837018

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Available files

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