Vitas-M small molecule compound
3-({3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK466751
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)NCCCn1nc(cc1C)C(F)(F)F
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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 C16H18F3N3O4 MW 373.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F3N3O4/c1-8-7-11(16(17,18)19)21-22(8)6-2-5-20-14(23)12-9-3-4-10(26-9)13(12)15(24)25/h3-4,7,9-10,12-13H,2,5-6H2,1H3,(H,20,23)(H,24,25)InChIKey
HTSWKCQLFDXXHD-UHFFFAOYSA-NSynonyms
2(3(5methyl3(trifluoromethyl)pyrazol1yl)propylcarbamoyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((3(5methyl3(trifluoromethyl)1Hpyrazol1yl)propyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(3(5METHYL3(TRIFLUOROMETHYL)PYRAZOLYL)PROPYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=CC(=NN1CCCNC(=O)C2C3C=CC(C2C(=O)O)O3)C(F)(F)F
InChI=1SC16H18F3N3O4c18711(16(1718)19)2122(8)6252014(23)1293410(269)13(12)15(24)25h3479101213H256H21H3(H2023)(H2425)
MFCD06063565
ZINC000225746138
ZINC000239309702
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