Vitas-M small molecule compound

N-(3-chloro-4-fluorophenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide

Catalog ID
STK779950
SMILES [O-][N+](=O)c1cc2Oc3ccccc3C=Cc2c(c1)C(=O)Nc1ccc(c(c1)Cl)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 C21H12ClFN2O4 MW 410.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClFN2O4/c22-17-9-13(6-8-18(17)23)24-21(26)16-10-14(25(27)28)11-20-15(16)7-5-12-3-1-2-4-19(12)29-20/h1-11H,(H,24,26)
InChIKey
NBJODVUZTUSCMC-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2Oc3ccccc3C=Cc2c(c1)C(=O)Nc1ccc(c(c1)Cl)F
C1=CC=C2C(=C1)C=CC3=C(O2)C=C(C=C3C(=O)NC4=CC(=C(C=C4)F)Cl)(N+)(=O)(O)
InChI=1SC21H12ClFN2O4c2217913(6818(17)23)2421(26)161014(25(27)28)112015(16)7512312419(12)2920h111H(H2426)
MFCD05859534
N(3CHLORO4FLUOROPHENYL)2NITROBENZO(B)(1)BENZOXEPINE4CARBOXAMIDE
N(3chloro4fluorophenyl)3nitrodibenzo(bf)oxepine1carboxamide
ZINC000001430509
ZINC01430509
ZINC1430509

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Available files

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