Vitas-M small molecule compound

2-(benzylamino)-2-oxoethyl 1-methyl-1H-pyrazole-5-carboxylate

Catalog ID
STK229042
SMILES O=C(NCc1ccccc1)COC(=O)c1ccnn1C

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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 C14H15N3O3 MW 273.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O3/c1-17-12(7-8-16-17)14(19)20-10-13(18)15-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,18)
InChIKey
VXOQEFUYFSTIKA-UHFFFAOYSA-N
Synonyms

(2(BENZYLAMINO)2OXOETHYL)2METHYLPYRAZOLE3CARBOXYLATE
2(BENZYLAMINO)2OXOETHYL1METHYL1HPYRAZOLE5CARBOXYLATE
2METHYL2HPYRAZOLE3CARBOXYLICACIDBENZYLCARBAMOYLMETHYLESTER
CN1C(=CC=N1)C(=O)OCC(=O)NCC2=CC=CC=C2
InChI=1SC14H15N3O3c11712(781617)14(19)201013(18)159115324611h28H910H21H3(H1518)
MFCD07392609
ZINC000004734998
ZINC04734998
ZINC4734998

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Available files

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