Vitas-M small molecule compound
methyl 4-({[4-(cyanomethyl)piperazin-1-yl]acetyl}amino)benzoate ethanedioate
Catalog ID
STK082400
SMILES OC(=O)C(=O)O.COC(=O)c1ccc(cc1)NC(=O)CN1CCN(CC1)CC#N
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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 C18H22N4O7 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3.C2H2O4/c1-23-16(22)13-2-4-14(5-3-13)18-15(21)12-20-10-8-19(7-6-17)9-11-20;3-1(4)2(5)6/h2-5H,7-12H2,1H3,(H,18,21);(H,3,4)(H,5,6)InChIKey
UQTOATYHJIVULM-UHFFFAOYSA-NSynonyms
1083166-17-91083166179
COC(=O)C1=CC=C(C=C1)NC(=O)C(NH+)2CC(NH+)(CC2)CC#NC(=O)(C(=O)(O))(O)
InChI=1SC16H20N4O3C2H2O4c12316(22)132414(5313)1815(21)122010819(7617)9112031(4)2(5)6h25H712H21H3(H1821)(H34)(H56)
METHYL4(((4(CYANOMETHYL)PIPERAZIN1YL)ACETYL)AMINO)BENZOATEETHANEDIOATE
methyl4((2(4(cyanomethyl)piperazine14diium1yl)acetyl)amino)benzoateoxalate
methyl4(2(4(cyanomethyl)piperazin1yl)acetamido)benzoateoxalate
MFCD01606351
OC(=O)C(=O)OCOC(=O)c1ccc(cc1)NC(=O)CN1CCN(CC1)CC#N
STK082400
ZINC000096900677
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