Vitas-M small molecule compound
3-(4-benzylpiperazin-1-yl)-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}cyclobut-3-ene-1,2-dione
Catalog ID
STL162824
SMILES O=C1C(=O)C(=C1N1CCN(CC1)Cc1ccccc1)NCc1c(C)nn(c1C)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 C22H27N5O2 MW 393.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O2/c1-15-18(16(2)25(3)24-15)13-23-19-20(22(29)21(19)28)27-11-9-26(10-12-27)14-17-7-5-4-6-8-17/h4-8,23H,9-14H2,1-3H3InChIKey
ZXYWLIFMGQKWHF-UHFFFAOYSA-NSynonyms
1282114-10-61282114106
3(4benzylpiperazin1yl)4(((135trimethyl1Hpyrazol4yl)methyl)amino)cyclobut3ene12dione
3(4benzylpiperazin1yl)4((135trimethylpyrazol4yl)methylamino)cyclobut3ene12dione
CC1=C(C(=NN1C)C)CNC2=C(C(=O)C2=O)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC22H27N5O2c11518(16(2)25(3)2415)13231920(22(29)21(19)28)2711926(101227)14177546817h4823H914H213H3
MFCD18797066
ZINC000101692475
ZINC101692475
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