Vitas-M small molecule compound
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propan-1-one
Catalog ID
STL318917
SMILES O=C(N1CCN(CC1)C/C=C/c1ccccc1)CCNc1nc(C)cc(n1)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 C22H29N5O MW 379.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O/c1-18-17-19(2)25-22(24-18)23-11-10-21(28)27-15-13-26(14-16-27)12-6-9-20-7-4-3-5-8-20/h3-9,17H,10-16H2,1-2H3,(H,23,24,25)/b9-6+InChIKey
KXVDGPUHCHDMDU-RMKNXTFCSA-NSynonyms
1436015-78-9(E)1(4cinnamylpiperazin1yl)3((46dimethylpyrimidin2yl)amino)propan1one
1436015789
3((46dimethylpyrimidin2yl)amino)1(4((2E)3phenylprop2en1yl)piperazin1yl)propan1one
3((46dimethylpyrimidin2yl)amino)1(4((E)3phenylprop2enyl)piperazin1yl)propan1one
CC1=CC(=NC(=N1)NCCC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)C
InChI=1SC22H29N5Oc1181719(2)2522(2418)23111021(28)27151326(141627)1269207435820h3917H1016H212H3(H232425)b96+
MFCD23138041
O=C(N1CCN(CC1)CC=Cc1ccccc1)CCNc1nc(C)cc(n1)C
ZINC000095479678
ZINC95479678
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