Vitas-M small molecule compound
azepan-1-yl[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Catalog ID
STK343038
SMILES O=C(c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)[N+](=O)[O-])N1CCCCCC1
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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 C20H18F3N5O3 MW 433.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N5O3/c21-20(22,23)17-11-15(13-5-7-14(8-6-13)28(30)31)24-18-12-16(25-27(17)18)19(29)26-9-3-1-2-4-10-26/h5-8,11-12H,1-4,9-10H2InChIKey
WIPKOJFJCNOQLA-UHFFFAOYSA-NSynonyms
333765-24-5333765245
AZAPERHYDROEPINYL5(4NITROPHENYL)7(TRIFLUOROMETHYL)(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL)KETONE
AZEPAN1YL(5(4NITROPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)(N+)(=O)(O))C(F)(F)F
InChI=1SC20H18F3N5O3c2120(2223)171115(135714(8613)28(30)31)24181216(2527(17)18)19(29)26931241026h581112H14910H2
MFCD01445153
O=C(c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)(N+)(=O)(O))N1CCCCCC1
ZINC000000845318
ZINC00845318
ZINC845318
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