Vitas-M small molecule compound
3-{[1-ethyl-3-(methylcarbamoyl)-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK445889
SMILES CNC(=O)c1nn(cc1NC(=O)C1C2CCC(C1C(=O)O)C2)CC
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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 C16H22N4O4 MW 334.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O4/c1-3-20-7-10(13(19-20)15(22)17-2)18-14(21)11-8-4-5-9(6-8)12(11)16(23)24/h7-9,11-12H,3-6H2,1-2H3,(H,17,22)(H,18,21)(H,23,24)InChIKey
HBDRAHSJWLLUNH-UHFFFAOYSA-NSynonyms
2((1ethyl3(methylcarbamoyl)pyrazol4yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((1ethyl3(methylcarbamoyl)1Hpyrazol4yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(1ETHYL3(NMETHYLCARBAMOYL)PYRAZOL4YL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCN1C=C(C(=N1)C(=O)NC)NC(=O)C2C3CCC(C3)C2C(=O)O
InChI=1SC16H22N4O4c1320710(13(1920)15(22)172)1814(21)118459(68)12(11)16(23)24h791112H36H212H3(H1722)(H1821)(H2324)
MFCD04058505
ZINC000102246099
ZINC000239308872
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