Vitas-M small molecule compound

{4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitrophenyl]piperazin-1-yl}(4-fluorophenyl)methanone

Catalog ID
STL023885
SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nc2c([nH]1)cccc2)[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 C24H20FN5O3S MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20FN5O3S/c25-17-7-5-16(6-8-17)23(31)29-13-11-28(12-14-29)18-9-10-21(30(32)33)22(15-18)34-24-26-19-3-1-2-4-20(19)27-24/h1-10,15H,11-14H2,(H,26,27)
InChIKey
AVWCFRPPLHCBIF-UHFFFAOYSA-N
Synonyms
591726-47-5
(4(3((1Hbenzo(d)imidazol2yl)thio)4nitrophenyl)piperazin1yl)(4fluorophenyl)methanone
(4(3(1HBENZIMIDAZOL2YLSULFANYL)4NITROPHENYL)PIPERAZIN1YL)(4FLUOROPHENYL)METHANONE
591726475
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))SC3=NC4=CC=CC=C4N3)C(=O)C5=CC=C(C=C5)F
Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nc2c((nH)1)cccc2)(N+)(=O)(O)
InChI=1SC24H20FN5O3Sc25177516(6817)23(31)29131128(121429)1891021(30(32)33)22(1518)34242619312420(19)2724h11015H1114H2(H2627)
ZINC09007898
ZINC9007898

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Available files

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