Vitas-M small molecule compound

N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide

Catalog ID
STK963609
SMILES CC(=O)c1cc2OCOc2cc1NC(=O)c1c(C)nn(c1C)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 C16H17N3O4 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4/c1-8-15(9(2)19(4)18-8)16(21)17-12-6-14-13(22-7-23-14)5-11(12)10(3)20/h5-6H,7H2,1-4H3,(H,17,21)
InChIKey
FKSWCGARWVEKFF-UHFFFAOYSA-N
Synonyms
514799-80-5
514799805
CC1=C(C(=NN1C)C)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3
InChI=1SC16H17N3O4c1815(9(2)19(4)188)16(21)171261413(2272314)511(12)10(3)20h56H7H214H3(H1721)
MFCD02605926
N(6acetyl13benzodioxol5yl)135trimethyl1Hpyrazole4carboxamide
N(6ACETYL13BENZODIOXOL5YL)135TRIMETHYLPYRAZOLE4CARBOXAMIDE
ZINC000002754183
ZINC02754183
ZINC2754183

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Available files

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