Vitas-M small molecule compound

(2E)-2-cyano-N-{[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]carbamoyl}-3-(4-methoxyphenyl)prop-2-enamide

Catalog ID
STL308128
SMILES N#C/C(=C\c1ccc(cc1)OC)/C(=O)NC(=O)Nc1c2ccccc2ccc1C(C(F)(F)F)(C(F)(F)F)O

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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 C25H17F6N3O4 MW 537.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17F6N3O4/c1-38-17-9-6-14(7-10-17)12-16(13-32)21(35)34-22(36)33-20-18-5-3-2-4-15(18)8-11-19(20)23(37,24(26,27)28)25(29,30)31/h2-12,37H,1H3,(H2,33,34,35,36)/b16-12+
InChIKey
JQPDMAMVFAYTAZ-FOWTUZBSSA-N
Synonyms

(2E)2cyanoN((2(111333hexafluoro2hydroxypropan2yl)naphthalen1yl)carbamoyl)3(4methoxyphenyl)prop2enamide
(E)2cyanoN((2(111333hexafluoro2hydroxypropan2yl)naphthalen1yl)carbamoyl)3(4methoxyphenyl)prop2enamide
(Z)2cyanoN((2(111333hexafluoro2hydroxypropan2yl)naphthalen1yl)carbamoyl)3(4methoxyphenyl)acrylamide
COC1=CC=C(C=C1)C=C(C#N)C(=O)NC(=O)NC2=C(C=CC3=CC=CC=C32)C(C(F)(F)F)(C(F)(F)F)O
InChI=1SC25H17F6N3O4c138179614(71017)1216(1332)21(35)3422(36)332018532415(18)81119(20)23(3724(2627)28)25(2930)31h21237H1H3(H233343536)b1612+
MFCD28025052
N#CC(=Cc1ccc(cc1)OC)C(=O)NC(=O)Nc1c2ccccc2ccc1C(C(F)(F)F)(C(F)(F)F)O
ZINC000002311404
ZINC2311404

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Available files

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