Vitas-M small molecule compound
(2E)-3-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK728382
SMILES N#C/C(=C\c1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/c1nc2c([nH]1)cc(cc2)C
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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 C25H17F3N4O4 MW 494.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17F3N4O4/c1-14-3-6-18-19(9-14)31-24(30-18)16(13-29)10-15-4-7-22(23(11-15)35-2)36-21-8-5-17(25(26,27)28)12-20(21)32(33)34/h3-12H,1-2H3,(H,30,31)/b16-10+InChIKey
NPPYWCZKZBTHLI-MHWRWJLKSA-NSynonyms
(2E)3(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)2(6methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O))OC)C#N
InChI=1SC25H17F3N4O4c114361819(914)3124(3018)16(1329)10154722(23(1115)352)36218517(25(2627)28)1220(21)32(33)34h312H12H3(H3031)b1610+
MFCD01359724
N#CC(=Cc1ccc(c(c1)OC)Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)c1nc2c((nH)1)cc(cc2)C
ZINC08809507
ZINC8809507
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