Vitas-M small molecule compound

(3,4-difluorophenyl)[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]methanone

Catalog ID
STK760179
SMILES O=C(c1ccc(c(c1)F)F)N1CCN(CC1)c1cc(C)c(cc1F)[N+](=O)[O-]

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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 C18H16F3N3O3 MW 379.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N3O3/c1-11-8-17(15(21)10-16(11)24(26)27)22-4-6-23(7-5-22)18(25)12-2-3-13(19)14(20)9-12/h2-3,8-10H,4-7H2,1H3
InChIKey
ZCRFXHOPRCVJAF-UHFFFAOYSA-N
Synonyms

(34difluorophenyl)(4(2fluoro5methyl4nitrophenyl)piperazin1yl)methanone
CC1=CC(=C(C=C1(N+)(=O)(O))F)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)F
InChI=1SC18H16F3N3O3c111817(15(21)1016(11)24(26)27)224623(7522)18(25)122313(19)14(20)912h23810H47H21H3
MFCD01572072
O=C(c1ccc(c(c1)F)F)N1CCN(CC1)c1cc(C)c(cc1F)(N+)(=O)(O)
ZINC000004498420
ZINC04498420
ZINC4498420

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.