Vitas-M small molecule compound

6-{4-[(4-chlorobenzyl)oxy]phenyl}-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

Catalog ID
STK179571
SMILES Clc1ccc(cc1)COc1ccc(cc1)c1cc(c2c(n1)n(nc2C)c1ccc(cc1)[N+](=O)[O-])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 C27H18ClF3N4O3 MW 538.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClF3N4O3/c1-16-25-23(27(29,30)31)14-24(32-26(25)34(33-16)20-8-10-21(11-9-20)35(36)37)18-4-12-22(13-5-18)38-15-17-2-6-19(28)7-3-17/h2-14H,15H2,1H3
InChIKey
WMAQPFIJDQLFDP-UHFFFAOYSA-N
Synonyms

6(4((4CHLOROBENZYL)OXY)PHENYL)3METHYL1(4NITROPHENYL)4(TRIFLUOROMETHYL)1HPYRAZOLO(34B)PYRIDINE
6(4((4chlorophenyl)methoxy)phenyl)3methyl1(4nitrophenyl)4(trifluoromethyl)pyrazolo(34b)pyridine
CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C(F)(F)F)C5=CC=C(C=C5)(N+)(=O)(O)
Clc1ccc(cc1)COc1ccc(cc1)c1cc(c2c(n1)n(nc2C)c1ccc(cc1)(N+)(=O)(O))C(F)(F)F
InChI=1SC27H18ClF3N4O3c1162523(27(2930)31)1424(3226(25)34(3316)2081021(11920)35(36)37)1841222(13518)3815172619(28)7317h214H15H21H3
MFCD07125998
ZINC000098045580
ZINC98045580

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Available files

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