Vitas-M small molecule compound

methyl N-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}-beta-alaninate

Catalog ID
STL311444
SMILES COC(=O)CCNC(=O)Cc1ccc(cc1)n1cnnn1

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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 C13H15N5O3 MW 289.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O3/c1-21-13(20)6-7-14-12(19)8-10-2-4-11(5-3-10)18-9-15-16-17-18/h2-5,9H,6-8H2,1H3,(H,14,19)
InChIKey
WGNDACHDFHEWEI-UHFFFAOYSA-N
Synonyms
1401599-90-3
1401599903
COC(=O)CCNC(=O)CC1=CC=C(C=C1)N2C=NN=N2
InChI=1SC13H15N5O3c12113(20)671412(19)8102411(5310)18915161718h259H68H21H3(H1419)
methyl3((2(4(tetrazol1yl)phenyl)acetyl)amino)propanoate
methyl3(2(4(1Htetrazol1yl)phenyl)acetamido)propanoate
methylN((4(1Htetrazol1yl)phenyl)acetyl)betaalaninate
MFCD15872743
ZINC000073721445
ZINC73721445

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Available files

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