Vitas-M small molecule compound

2-(5-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK158072
SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)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 C25H25FN4O4S MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O4S/c26-21-5-8-23(9-6-21)35(33,34)29-15-13-27(14-16-29)22-7-10-24(30(31)32)25(17-22)28-12-11-19-3-1-2-4-20(19)18-28/h1-10,17H,11-16,18H2
InChIKey
MUQRCPXWUMIFQV-UHFFFAOYSA-N
Synonyms
591765-44-5
2(5(4((4fluorophenyl)sulfonyl)piperazin1yl)2nitrophenyl)1234tetrahydroisoquinoline
2(5(4(4FLUOROPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)34DIHYDRO1HISOQUINOLINE
591765445
C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F)(N+)(=O)(O)
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC25H25FN4O4Sc26215823(9621)35(3334)29151327(141629)2271024(30(31)32)25(1722)28121119312420(19)1828h11017H111618H2
MFCD03694594
ZINC000009046655
ZINC09046655
ZINC9046655

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Available files

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