Vitas-M small molecule compound
(2Z)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(morpholin-4-yl)-3-nitrophenyl]prop-2-enenitrile
Catalog ID
STL417583
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)/c1[nH]c2c(n1)cc(c(c2)C)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 C22H21N5O3 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c1-14-9-18-19(10-15(14)2)25-22(24-18)17(13-23)11-16-3-4-20(21(12-16)27(28)29)26-5-7-30-8-6-26/h3-4,9-12H,5-8H2,1-2H3,(H,24,25)/b17-11-InChIKey
VOZHSIISFNAFPR-BOPFTXTBSA-NSynonyms
(2Z)2(56dimethyl1Hbenzimidazol2yl)3(4(morpholin4yl)3nitrophenyl)prop2enenitrile
(Z)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(4MORPHOLIN4YL3NITROPHENYL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCOCC4)(N+)(=O)(O))C#N
InChI=1SC22H21N5O3c11491819(1015(14)2)2522(2418)17(1323)11163420(21(1216)27(28)29)2657308626h34912H58H212H3(H2425)b1711
MFCD06631789
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCOCC1)c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000004820849
ZINC04820849
ZINC4820849
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