Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Catalog ID
STK727638
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C24H15F3N4O4 MW 480.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15F3N4O4/c1-34-22-11-14(10-15(13-28)23-29-17-4-2-3-5-18(17)30-23)6-8-21(22)35-20-9-7-16(24(25,26)27)12-19(20)31(32)33/h2-12H,1H3,(H,29,30)/b15-10+InChIKey
IIMHAOSQKMHCQP-XNTDXEJSSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)PROP2ENENITRILE
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC24H15F3N4O4c134221114(1015(1328)232917423518(17)3023)6821(22)35209716(24(2526)27)1219(20)31(32)33h212H1H3(H2930)b1510+
MFCD01066172
ZINC000008854544
ZINC08854544
ZINC8854544
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