Vitas-M small molecule compound

(2E)-3-(2,6-dichloro-3-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Catalog ID
STK758804
SMILES N#C/C(=C\c1c(Cl)ccc(c1Cl)[N+](=O)[O-])/c1[nH]c2c(n1)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 C17H10Cl2N4O2 MW 373.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10Cl2N4O2/c1-9-2-4-13-14(6-9)22-17(21-13)10(8-20)7-11-12(18)3-5-15(16(11)19)23(24)25/h2-7H,1H3,(H,21,22)/b10-7+
InChIKey
GVCJVUNXVPVDAN-JXMROGBWSA-N
Synonyms

(2E)3(26dichloro3nitrophenyl)2(5methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(26DICHLORO3NITROPHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(C=CC(=C3Cl)(N+)(=O)(O))Cl)C#N
InChI=1SC17H10Cl2N4O2c19241314(69)2217(2113)10(820)71112(18)3515(16(11)19)23(24)25h27H1H3(H2122)b107+
MFCD01029519
N#CC(=Cc1c(Cl)ccc(c1Cl)(N+)(=O)(O))c1(nH)c2c(n1)cc(cc2)C
ZINC000004418842
ZINC04418842
ZINC4418842

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Available files

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