Vitas-M small molecule compound
3-[4-(2-{[2-(5-methyl-1H-pyrazol-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazin-1-yl]propanenitrile
Catalog ID
STL159637
SMILES N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NCCn1nccc1C
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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 C17H22N6O2 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O2/c1-13-3-5-20-23(13)8-6-19-14-15(17(25)16(14)24)22-11-9-21(10-12-22)7-2-4-18/h3,5,19H,2,6-12H2,1H3InChIKey
VDCVVVHERKCKBO-UHFFFAOYSA-NSynonyms
1282118-49-31282118493
3(4(2((2(5methyl1Hpyrazol1yl)ethyl)amino)34dioxocyclobut1en1yl)piperazin1yl)propanenitrile
3(4(2(2(5methylpyrazol1yl)ethylamino)34dioxocyclobuten1yl)piperazin1yl)propanenitrile
CC1=CC=NN1CCNC2=C(C(=O)C2=O)N3CCN(CC3)CCC#N
InChI=1SC17H22N6O2c113352023(13)86191415(17(25)16(14)24)2211921(101222)72418h3519H2612H21H3
MFCD18796577
ZINC000101690777
ZINC101690777
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