Vitas-M small molecule compound
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-phenoxyethanone
Catalog ID
STK794756
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)COc1ccccc1
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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 C17H19F3N2O3 MW 356.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19F3N2O3/c18-17(19,20)16(24)13-9-5-2-6-10-14(13)21-22(16)15(23)11-25-12-7-3-1-4-8-12/h1,3-4,7-8,13,24H,2,5-6,9-11H2InChIKey
PVYZUTMVPCMMJJ-UHFFFAOYSA-NSynonyms
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)2phenoxyethanone
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)2phenoxyethanone
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)COC3=CC=CC=C3)CC1
InChI=1SC17H19F3N2O3c1817(1920)16(24)1395261014(13)2122(16)15(23)1125127314812h134781324H256911H2
MFCD01821553
ZINC000000845873
ZINC000000845876
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