Vitas-M small molecule compound

{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(thiophen-2-yl)methanone

Catalog ID
STK772337
SMILES [O-][N+](=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1cccs1)N1CCCCCC1

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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 C21H25FN4O3S MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4O3S/c22-16-14-19(26(28)29)18(15-17(16)23-7-3-1-2-4-8-23)24-9-11-25(12-10-24)21(27)20-6-5-13-30-20/h5-6,13-15H,1-4,7-12H2
InChIKey
XMQLMUBBBARKAJ-UHFFFAOYSA-N
Synonyms

(4(5(azepan1yl)4fluoro2nitrophenyl)piperazin1yl)(thiophen2yl)methanone
(4(5(AZEPAN1YL)4FLUORO2NITROPHENYL)PIPERAZIN1YL)THIOPHEN2YLMETHANONE
(O)(N+)(=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1cccs1)N1CCCCCC1
4(5AZAPERHYDROEPINYL4FLUORO2NITROPHENYL)PIPERAZINYL2THIENYLKETONE
C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CS4)(N+)(=O)(O))F
InChI=1SC21H25FN4O3Sc22161419(26(28)29)18(1517(16)2373124823)2491125(121024)21(27)2065133020h561315H14712H2
MFCD03144365
ZINC000008846793
ZINC08846793
ZINC8846793

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Available files

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