Vitas-M small molecule compound
propan-2-yl 4-{5-[(Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL431713
SMILES CC(OC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C)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 C26H21F3N2O4 MW 482.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21F3N2O4/c1-15(2)34-25(33)18-9-7-17(8-10-18)23-12-11-21(35-23)14-22-16(3)30-31(24(22)32)20-6-4-5-19(13-20)26(27,28)29/h4-15H,1-3H3/b22-14-InChIKey
HNELCBQFCUTVTB-HMAPJEAMSA-NSynonyms
CC(OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C)C
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC26H21F3N2O4c115(2)3425(33)189717(81018)23121121(3523)142216(3)3031(24(22)32)2064519(1320)26(2728)29h415H13H3b2214
MFCD03307137
propan2yl4(5((Z)(3methyl5oxo1(3(trifluoromethyl)phenyl)15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
PROPAN2YL4(5((Z)(3METHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000017146059
ZINC17146059
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