Vitas-M small molecule compound

ethyl {5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-methyl-1H-pyrazol-1-yl}acetate

Catalog ID
STK779257
SMILES CCOC(=O)Cn1nc(cc1NC(=O)c1ccc2c(c1)OCO2)C

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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 C16H17N3O5 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5/c1-3-22-15(20)8-19-14(6-10(2)18-19)17-16(21)11-4-5-12-13(7-11)24-9-23-12/h4-7H,3,8-9H2,1-2H3,(H,17,21)
InChIKey
BCVALXQGRWEXAJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)CN1C(=CC(=N1)C)NC(=O)C2=CC3=C(C=C2)OCO3
ethyl(5((13benzodioxol5ylcarbonyl)amino)3methyl1Hpyrazol1yl)acetate
ETHYL2(5(13BENZODIOXOLE5CARBONYLAMINO)3METHYLPYRAZOL1YL)ACETATE
InChI=1SC16H17N3O5c132215(20)81914(610(2)1819)1716(21)11451213(711)2492312h47H389H212H3(H1721)
MFCD05858278
ZINC000001429219
ZINC01429219
ZINC1429219

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Available files

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