Vitas-M small molecule compound
5-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Catalog ID
STL391768
SMILES O=C(c1n(C)ncc1C(=O)O)Nc1cc2OCOc2cc1C(=O)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 C15H13N3O6 MW 331.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O6/c1-7(19)8-3-11-12(24-6-23-11)4-10(8)17-14(20)13-9(15(21)22)5-16-18(13)2/h3-5H,6H2,1-2H3,(H,17,20)(H,21,22)InChIKey
NETGRIJCAUQQRP-UHFFFAOYSA-NSynonyms
1174879-24-31174879243
5((6acetyl13benzodioxol5yl)carbamoyl)1methyl1Hpyrazole4carboxylicacid
5((6acetyl13benzodioxol5yl)carbamoyl)1methylpyrazole4carboxylicacid
CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=NN3C)C(=O)O)OCO2
InChI=1SC15H13N3O6c17(19)831112(2462311)410(8)1714(20)139(15(21)22)51618(13)2h35H6H212H3(H1720)(H2122)
MFCD09470497
ZINC000020614777
ZINC20614777
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