Vitas-M small molecule compound

methyl 3-methyl-4-{[3-(1H-tetrazol-1-yl)propanoyl]amino}benzoate

Catalog ID
STK783557
SMILES COC(=O)c1ccc(c(c1)C)NC(=O)CCn1cnnn1

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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/c1-9-7-10(13(20)21-2)3-4-11(9)15-12(19)5-6-18-8-14-16-17-18/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)
InChIKey
KFDIZVLQJSQJLI-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCN2C=NN=N2
InChI=1SC13H15N5O3c19710(13(20)212)3411(9)1512(19)5618814161718h3478H56H212H3(H1519)
methyl3methyl4((3(1Htetrazol1yl)propanoyl)amino)benzoate
METHYL3METHYL4(3(TETRAZOL1YL)PROPANOYLAMINO)BENZOATE
MFCD06618418
ZINC000004751432
ZINC04751432
ZINC4751432

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Available files

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