Vitas-M small molecule compound

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

Catalog ID
STL055331
SMILES N#CC1=C(N)Oc2c(C1c1ccccc1C(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)21-9-5-4-8-19(21)22-20(14-31)25(32)36-26-23(22)24(33-34-26)17-10-12-18(13-11-17)35-15-16-6-2-1-3-7-16/h1-13,22H,15,32H2,(H,33,34)
InChIKey
HFVMNEDSSNNARD-UHFFFAOYSA-N
Synonyms
877779-76-5
6amino3(4(benzyloxy)phenyl)4(2(trifluoromethyl)phenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino3(4(benzyloxy)phenyl)4(2(trifluoromethyl)phenyl)24dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(4PHENYLMETHOXYPHENYL)4(2(TRIFLUOROMETHYL)PHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
877779765
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C4C(C(=C(OC4=NN3)N)C#N)C5=CC=CC=C5C(F)(F)F
InChI=1SC27H19F3N4O2c2827(2930)21954819(21)2220(1431)25(32)362623(22)24(333426)17101218(131117)3515166213716h11322H1532H2(H3334)
MFCD05734902
N#CC1=C(N)Oc2c(C1c1ccccc1C(F)(F)F)c((nH)n2)c1ccc(cc1)OCc1ccccc1
N#CC1=C(N)Oc2c(C1c1ccccc1C(F)(F)F)c(n(nH)2)c1ccc(cc1)OCc1ccccc1
ZINC000009292638
ZINC000009292639

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Available files

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