Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxo-2-{[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl}butanoic acid
Catalog ID
STL159263
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)Cc1cccnc1)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(25-19-3-4-20-21(13-19)32-11-10-31-20)12-18(23(29)30)16-27-8-6-26(7-9-27)15-17-2-1-5-24-14-17/h1-5,13-14,18H,6-12,15-16H2,(H,25,28)(H,29,30)InChIKey
XGBFBRKHVIFTSP-UHFFFAOYSA-NSynonyms
1324064-83-61324064836
4((23dihydrobenzo(b)(14)dioxin6yl)amino)4oxo2((4(pyridin3ylmethyl)piperazin1yl)methyl)butanoicacid
4(23dihydro14benzodioxin6ylamino)4oxo2((4(pyridin3ylmethyl)piperazin1yl)methyl)butanoicacid
C1CN(CCN1CC2=CN=CC=C2)CC(CC(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)O
InChI=1SC23H28N4O5c2822(2519342021(1319)3211103120)1218(23(29)30)16278626(7927)1517215241417h15131418H6121516H2(H2528)(H2930)
MFCD19710340
ZINC000071283425
ZINC000071283426
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