Vitas-M small molecule compound

5-benzyl-3-[(4-nitrophenyl)carbonyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

Catalog ID
STL333139
SMILES O=C1N(Cc2ccccc2)C(=O)C2C1C(=NN2)C(=O)c1ccc(cc1)[N+](=O)[O-]

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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 C19H14N4O5 MW 378.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O5/c24-17(12-6-8-13(9-7-12)23(27)28)15-14-16(21-20-15)19(26)22(18(14)25)10-11-4-2-1-3-5-11/h1-9,14,16,21H,10H2
InChIKey
FXQVBGFDZSRHIO-UHFFFAOYSA-N
Synonyms

(3aS6aS)5benzyl3(4nitrobenzoyl)16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
5benzyl3((4nitrophenyl)carbonyl)3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
5BENZYL3(4NITROBENZOYL)3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE46DIONE
C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)NN=C3C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H14N4O5c2417(126813(9712)23(27)28)151416(212015)19(26)22(18(14)25)10114213511h19141621H10H2
MFCD28032133
O=C1N(Cc2ccccc2)C(=O)(C@@H)2(C@H)1C(=NN2)C(=O)c1ccc(cc1)(N+)(=O)(O)
O=C1N(Cc2ccccc2)C(=O)C2C1C(=NN2)C(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000018061646
ZINC000098086180

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Available files

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