Vitas-M small molecule compound

4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxo-2-{[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}butanoic acid

Catalog ID
STL250557
SMILES O=C(CC(C(=O)O)CN1CCCN(CC1)c1ncccn1)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 C22H27N5O5 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O5/c28-20(25-17-3-4-18-19(14-17)32-12-11-31-18)13-16(21(29)30)15-26-7-2-8-27(10-9-26)22-23-5-1-6-24-22/h1,3-6,14,16H,2,7-13,15H2,(H,25,28)(H,29,30)
InChIKey
HQNLBCQUZJYGKV-UHFFFAOYSA-N
Synonyms
1324062-49-8
1324062498
4((23dihydrobenzo(b)(14)dioxin6yl)amino)4oxo2((4(pyrimidin2yl)14diazepan1yl)methyl)butanoicacid
4(23dihydro14benzodioxin6ylamino)4oxo2((4(pyrimidin2yl)14diazepan1yl)methyl)butanoicacid
4(23dihydro14benzodioxin6ylamino)4oxo2((4pyrimidin2yl14diazepan1yl)methyl)butanoicacid
C1CN(CCN(C1)C2=NC=CC=N2)CC(CC(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)O
InChI=1SC22H27N5O5c2820(2517341819(1417)3212113118)1316(21(29)30)152672827(10926)22235162422h1361416H271315H2(H2528)(H2930)
MFCD19713159
ZINC000071288661
ZINC000106715361

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Available files

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