Vitas-M small molecule compound
4-(1,3-dioxo-9-phenylhexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl)benzonitrile
Catalog ID
STK710556
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)N1N(C2c2ccccc2)CCC1
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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 C21H18N4O2 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2/c22-13-14-7-9-16(10-8-14)25-20(26)17-18(15-5-2-1-3-6-15)23-11-4-12-24(23)19(17)21(25)27/h1-3,5-10,17-19H,4,11-12H2InChIKey
KBSZIIDSUPTJLQ-UHFFFAOYSA-NSynonyms
4((3AS9S9AR)13DIOXO9PHENYLHEXAHYDRO5HPYRAZOLO(12A)PYRROLO(34C)PYRAZOL2(1H)YL)BENZONITRILE
4(13dioxo9phenylhexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazol2(5H)yl)benzonitrile
4(13dioxo9phenylhexahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazol2(1H)yl)benzonitrile
C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5
InChI=1SC21H18N4O2c2213147916(10814)2520(26)1718(155213615)231141224(23)19(17)21(25)27h135101719H41112H2
MFCD02996545
ZINC000019169480
ZINC000247645569
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