Vitas-M small molecule compound

3-methyl-1-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}ethyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile

Catalog ID
STK720270
SMILES N#Cc1c(C)cc(n2c1nc1c2cccc1)NCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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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 C22H17F3N6O2 MW 454.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N6O2/c1-13-10-20(30-18-5-3-2-4-17(18)29-21(30)15(13)12-26)28-9-8-27-16-7-6-14(22(23,24)25)11-19(16)31(32)33/h2-7,10-11,27-28H,8-9H2,1H3
InChIKey
WDMUUUNXKHEHEK-UHFFFAOYSA-N
Synonyms

2METHYL4((2((2NITRO4(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)AMINO)5HYDROPYRIDINO(12A)BENZIMIDAZOLECARBONITRILE
3methyl1((2((2nitro4(trifluoromethyl)phenyl)amino)ethyl)amino)pyrido(12a)benzimidazole4carbonitrile
3METHYL1(2(2NITRO4(TRIFLUOROMETHYL)ANILINO)ETHYLAMINO)PYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCNC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O))C#N
InChI=1SC22H17F3N6O2c1131020(3018532417(18)2921(30)15(13)1226)289827167614(22(2324)25)1119(16)31(32)33h2710112728H89H21H3
MFCD03763941
N#Cc1c(C)cc(n2c1nc1c2cccc1)NCCNc1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000008779847
ZINC08779847
ZINC8779847

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Available files

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