Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxo-2-{[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl}butanoic acid
Catalog ID
STL161491
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)Cc1ccccn1)Nc1ccc2c(c1)OCCO2
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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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c28-22(25-18-4-5-20-21(14-18)32-12-11-31-20)13-17(23(29)30)15-26-7-9-27(10-8-26)16-19-3-1-2-6-24-19/h1-6,14,17H,7-13,15-16H2,(H,25,28)(H,29,30)InChIKey
YXMCCJQAAGIHKE-UHFFFAOYSA-NSynonyms
1324092-45-61324092456
4((23dihydrobenzo(b)(14)dioxin6yl)amino)4oxo2((4(pyridin2ylmethyl)piperazin1yl)methyl)butanoicacid
4(23dihydro14benzodioxin6ylamino)4oxo2((4(pyridin2ylmethyl)piperazin1yl)methyl)butanoicacid
C1CN(CCN1CC2=CC=CC=N2)CC(CC(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)O
InChI=1SC23H28N4O5c2822(2518452021(1418)3212113120)1317(23(29)30)15267927(10826)161931262419h161417H7131516H2(H2528)(H2930)
MFCD19708073
ZINC000071279138
ZINC000071279139
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