Vitas-M small molecule compound
4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK765183
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1cc(F)c(cc1Cl)F)/c1nc2c([nH]1)cccc2
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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 C23H12ClF2N3O2 MW 435.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H12ClF2N3O2/c24-17-11-19(26)18(25)10-16(17)23(30)31-15-7-5-13(6-8-15)9-14(12-27)22-28-20-3-1-2-4-21(20)29-22/h1-11H,(H,28,29)/b14-9+InChIKey
SBFJXFYRXUPGQI-NTEUORMPSA-NSynonyms
(4((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)PHENYL)2CHLORO45DIFLUOROBENZOATE
4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)phenyl2chloro45difluorobenzoate
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4Cl)F)F)C#N
InChI=1SC23H12ClF2N3O2c24171119(26)18(25)1016(17)23(30)31157513(6815)914(1227)222820312421(20)2922h111H(H2829)b149+
MFCD02315990
N#CC(=Cc1ccc(cc1)OC(=O)c1cc(F)c(cc1Cl)F)c1nc2c((nH)1)cccc2
ZINC000008854890
ZINC08854890
ZINC8854890
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