Vitas-M small molecule compound
methyl 4-[(N-{[4-(pyridin-2-yl)piperazin-1-yl]carbonyl}alanyl)amino]benzoate
Catalog ID
STL157986
SMILES COC(=O)c1ccc(cc1)NC(=O)C(NC(=O)N1CCN(CC1)c1ccccn1)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 C21H25N5O4 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4/c1-15(19(27)24-17-8-6-16(7-9-17)20(28)30-2)23-21(29)26-13-11-25(12-14-26)18-5-3-4-10-22-18/h3-10,15H,11-14H2,1-2H3,(H,23,29)(H,24,27)InChIKey
SJWBNTONFRMTSJ-UHFFFAOYSA-NSynonyms
(S)methyl4(2(4(pyridin2yl)piperazine1carboxamido)propanamido)benzoate
CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)N2CCN(CC2)C3=CC=CC=N3
COC(=O)c1ccc(cc1)NC(=O)(C@@H)(NC(=O)N1CCN(CC1)c1ccccn1)C
InChI=1SC21H25N5O4c115(19(27)24178616(7917)20(28)302)2321(29)26131125(121426)18534102218h31015H1114H212H3(H2329)(H2427)
methyl4((N((4(pyridin2yl)piperazin1yl)carbonyl)alanyl)amino)benzoate
methyl4(2((4pyridin2ylpiperazine1carbonyl)amino)propanoylamino)benzoate
MFCD20758200
ZINC000061720826
ZINC000071333396
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