Vitas-M small molecule compound
3-[4-(2-{[3-(dimethylamino)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazin-1-yl]propanenitrile
Catalog ID
STL158647
SMILES N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NCCCN(C)C
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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 C16H25N5O2 MW 319.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N5O2/c1-19(2)7-4-6-18-13-14(16(23)15(13)22)21-11-9-20(10-12-21)8-3-5-17/h18H,3-4,6-12H2,1-2H3InChIKey
XYLCGQRNYFKWEQ-UHFFFAOYSA-NSynonyms
1282112-32-61282112326
3(4(2((3(dimethylamino)propyl)amino)34dioxocyclobut1en1yl)piperazin1yl)propanenitrile
3(4(2(3(dimethylamino)propylamino)34dioxocyclobuten1yl)piperazin1yl)propanenitrile
CN(C)CCCNC1=C(C(=O)C1=O)N2CCN(CC2)CCC#N
InChI=1SC16H25N5O2c119(2)746181314(16(23)15(13)22)2111920(101221)83517h18H34612H212H3
MFCD18798162
ZINC000101695964
ZINC101695964
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