Vitas-M small molecule compound

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

Catalog ID
STL320346
SMILES COC(=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 C15H16N4O3 MW 300.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O3/c1-22-14(21)11-3-5-12(6-4-11)19-13(20)7-10-18-15-16-8-2-9-17-15/h2-6,8-9H,7,10H2,1H3,(H,19,20)(H,16,17,18)
InChIKey
TXYNCCKUXOQRGI-UHFFFAOYSA-N
Synonyms
1435977-87-9
1435977879
COC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=NC=CC=N2
InChI=1SC15H16N4O3c12214(21)113512(6411)1913(20)7101815168291715h2689H710H21H3(H1920)(H161718)
methyl4((N(pyrimidin2yl)betaalanyl)amino)benzoate
methyl4(3(pyrimidin2ylamino)propanamido)benzoate
methyl4(3(pyrimidin2ylamino)propanoylamino)benzoate
MFCD23139774
ZINC000045762697
ZINC45762697

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Available files

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