Vitas-M small molecule compound
4-[9-(4-methylphenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile
Catalog ID
STK536388
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)N1N(C2c2ccc(cc2)C)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 C22H20N4O2 MW 372.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2/c1-14-3-7-16(8-4-14)19-18-20(25-12-2-11-24(19)25)22(28)26(21(18)27)17-9-5-15(13-23)6-10-17/h3-10,18-20H,2,11-12H2,1H3InChIKey
BEKUHNVFELTGNQ-UHFFFAOYSA-NSynonyms
4(13dioxo9(ptolyl)hexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazol2(5H)yl)benzonitrile
4(9(4methylphenyl)13dioxohexahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazol2(1H)yl)benzonitrile
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)N5N2CCC5
InChI=1SC22H20N4O2c1143716(8414)191820(251221124(19)25)22(28)26(21(18)27)179515(1323)61017h3101820H21112H21H3
MFCD02989360
ZINC000019169562
ZINC000102681796
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