Vitas-M small molecule compound

methyl N-[{[3-(5-methyl-1H-tetrazol-1-yl)phenyl]amino}(oxo)acetyl]-beta-alaninate

Catalog ID
STK943008
SMILES COC(=O)CCNC(=O)C(=O)Nc1cccc(c1)n1nnnc1C

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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 C14H16N6O4 MW 332.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N6O4/c1-9-17-18-19-20(9)11-5-3-4-10(8-11)16-14(23)13(22)15-7-6-12(21)24-2/h3-5,8H,6-7H2,1-2H3,(H,15,22)(H,16,23)
InChIKey
BSLLXJWAQAWTSJ-UHFFFAOYSA-N
Synonyms
1219570-51-0
1219570510
CC1=NN=NN1C2=CC(=CC=C2)NC(=O)C(=O)NCCC(=O)OC
InChI=1SC14H16N6O4c1917181920(9)1153410(811)1614(23)13(22)157612(21)242h358H67H212H3(H1522)(H1623)
methyl3((2(3(5methyltetrazol1yl)anilino)2oxoacetyl)amino)propanoate
methyl3(2((3(5methyl1Htetrazol1yl)phenyl)amino)2oxoacetamido)propanoate
methylN(((3(5methyl1Htetrazol1yl)phenyl)amino)(oxo)acetyl)betaalaninate
MFCD16626312
ZINC000040286534
ZINC40286534

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Available files

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