Vitas-M small molecule compound
3-(4-benzylpiperazin-1-yl)-4-(cyclohexylamino)cyclobut-3-ene-1,2-dione
Catalog ID
STL153399
SMILES O=C1C(=O)C(=C1NC1CCCCC1)N1CCN(CC1)Cc1ccccc1
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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 C21H27N3O2 MW 353.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2/c25-20-18(22-17-9-5-2-6-10-17)19(21(20)26)24-13-11-23(12-14-24)15-16-7-3-1-4-8-16/h1,3-4,7-8,17,22H,2,5-6,9-15H2InChIKey
GHAMVYCRTYJGBE-UHFFFAOYSA-NSynonyms
1282113-28-31282113283
3(4benzylpiperazin1yl)4(cyclohexylamino)cyclobut3ene12dione
C1CCC(CC1)NC2=C(C(=O)C2=O)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC21H27N3O2c252018(221795261017)19(21(20)26)24131123(121424)15167314816h134781722H256915H2
MFCD18800038
ZINC000101703238
ZINC101703238
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