Vitas-M small molecule compound

ethyl 4-{[N-(pyrimidin-2-yl)-beta-alanyl]amino}benzoate

Catalog ID
STL320450
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCNc1ncccn1

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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 C16H18N4O3 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3/c1-2-23-15(22)12-4-6-13(7-5-12)20-14(21)8-11-19-16-17-9-3-10-18-16/h3-7,9-10H,2,8,11H2,1H3,(H,20,21)(H,17,18,19)
InChIKey
PGCAUHFWASXMBJ-UHFFFAOYSA-N
Synonyms
1435975-73-7
1435975737
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=NC=CC=N2
ethyl4((N(pyrimidin2yl)betaalanyl)amino)benzoate
ethyl4(3(pyrimidin2ylamino)propanamido)benzoate
ethyl4(3(pyrimidin2ylamino)propanoylamino)benzoate
InChI=1SC16H18N4O3c122315(22)124613(7512)2014(21)81119161793101816h37910H2811H21H3(H2021)(H171819)
MFCD23139023
ZINC000095480820
ZINC95480820

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.