Vitas-M small molecule compound

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

Catalog ID
STK544090
SMILES O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1C(=NN2c1ccccc1)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 C23H16N4O4 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O4/c28-22-19-20(15-11-13-18(14-12-15)27(30)31)24-26(17-9-5-2-6-10-17)21(19)23(29)25(22)16-7-3-1-4-8-16/h1-14,19,21H/t19-,21+/m1/s1
InChIKey
XBZVSHPSYCLFJU-CTNGQTDRSA-N
Synonyms
69084-31-7
(3aS6aS)3(4nitrophenyl)15diphenyl16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
(3aS6aS)3(4nitrophenyl)15diphenyl3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
(3AS6AS)3(4NITROPHENYL)15DIPHENYL3A6ADIHYDROPYRROLO(34C)PYRAZOLE46DIONE
69084317
C1=CC=C(C=C1)N2C3C(C(=N2)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)N(C3=O)C5=CC=CC=C5
InChI=1SC23H16N4O4c28221920(15111318(141215)27(30)31)2426(1795261017)21(19)23(29)25(22)167314816h1141921Ht1921+m1s1
MFCD18242126
O=C1N(c2ccccc2)C(=O)(C@@H)2(C@H)1C(=NN2c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000100843264
ZINC100843264

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Available files

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