Vitas-M small molecule compound
methyl 3'-methyl-5'-oxo-1'-phenyl-3-(trifluoromethyl)-1',5'-dihydrospiro[bicyclo[2.2.1]hept-5-ene-2,4'-pyrazole]-3-carboxylate
Catalog ID
STK535400
SMILES COC(=O)C1(C2C=CC(C31C(=NN(C3=O)c1ccccc1)C)C2)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 C19H17F3N2O3 MW 378.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N2O3/c1-11-17(15(25)24(23-11)14-6-4-3-5-7-14)12-8-9-13(10-12)18(17,16(26)27-2)19(20,21)22/h3-9,12-13H,10H2,1-2H3InChIKey
CWJAEMSHNFLHBC-UHFFFAOYSA-NSynonyms
(1S2S3R4R)methyl3methyl5oxo1phenyl3(trifluoromethyl)15dihydrospiro(bicyclo(221)hept(5)ene24pyrazole)3carboxylate
CC1=NN(C(=O)C12C3CC(C2(C(=O)OC)C(F)(F)F)C=C3)C4=CC=CC=C4
InChI=1SC19H17F3N2O3c11117(15(25)24(2311)146435714)128913(1012)18(1716(26)272)19(2021)22h391213H10H212H3
methyl3methyl5oxo1phenyl3(trifluoromethyl)15dihydrospiro(bicyclo(221)hept5ene24pyrazole)3carboxylate
METHYL3METHYL5OXO1PHENYL3(TRIFLUOROMETHYL)SPIRO(BICYCLO(221)HEPT5ENE24PYRAZOLE)3CARBOXYLATE
MFCD02997013
ZINC000100794833
ZINC000239287479
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