Vitas-M small molecule compound

6-amino-3-[4-(benzyloxy)phenyl]-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK567490
SMILES N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(F)(F)F)c([nH]n2)c1ccc(cc1)OCc1ccccc1

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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 C27H19F3N4O2 MW 488.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19F3N4O2/c28-27(29,30)19-10-6-17(7-11-19)22-21(14-31)25(32)36-26-23(22)24(33-34-26)18-8-12-20(13-9-18)35-15-16-4-2-1-3-5-16/h1-13,22H,15,32H2,(H,33,34)
InChIKey
WQVMUUCCRJHMNS-UHFFFAOYSA-N
Synonyms
850763-72-3
6amino3(4(benzyloxy)phenyl)4(4(trifluoromethyl)phenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino3(4(benzyloxy)phenyl)4(4(trifluoromethyl)phenyl)24dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(4PHENYLMETHOXYPHENYL)4(4(TRIFLUOROMETHYL)PHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
850763723
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C4C(C(=C(OC4=NN3)N)C#N)C5=CC=C(C=C5)C(F)(F)F
InChI=1SC27H19F3N4O2c2827(2930)1910617(71119)2221(1431)25(32)362623(22)24(333426)1881220(13918)3515164213516h11322H1532H2(H3334)
MFCD05731073
N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(F)(F)F)c((nH)n2)c1ccc(cc1)OCc1ccccc1
N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(F)(F)F)c(n(nH)2)c1ccc(cc1)OCc1ccccc1
ZINC000009291467
ZINC000009292490

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Available files

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