Vitas-M small molecule compound
3-{4-[2-(benzylamino)-3,4-dioxocyclobut-1-en-1-yl]piperazin-1-yl}propanenitrile
Catalog ID
STL152559
SMILES N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NCc1ccccc1
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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 C18H20N4O2 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2/c19-7-4-8-21-9-11-22(12-10-21)16-15(17(23)18(16)24)20-13-14-5-2-1-3-6-14/h1-3,5-6,20H,4,8-13H2InChIKey
IPTWBSPVXYCPHG-UHFFFAOYSA-NSynonyms
1282131-54-71282131547
3(4(2(benzylamino)34dioxocyclobut1en1yl)piperazin1yl)propanenitrile
3(4(2(benzylamino)34dioxocyclobuten1yl)piperazin1yl)propanenitrile
C1CN(CCN1CCC#N)C2=C(C(=O)C2=O)NCC3=CC=CC=C3
InChI=1SC18H20N4O2c197482191122(121021)1615(17(23)18(16)24)2013145213614h135620H4813H2
MFCD18796642
ZINC000101690970
ZINC101690970
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