Vitas-M small molecule compound

5-{4-[(4-tert-butylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(pyridin-3-ylmethyl)aniline

Catalog ID
STK205942
SMILES [O-][N+](=O)c1ccc(cc1NCc1cccnc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C

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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 C26H31N5O4S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O4S/c1-26(2,3)21-6-9-23(10-7-21)36(34,35)30-15-13-29(14-16-30)22-8-11-25(31(32)33)24(17-22)28-19-20-5-4-12-27-18-20/h4-12,17-18,28H,13-16,19H2,1-3H3
InChIKey
FHEKFWJQIPLHBX-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1NCc1cccnc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
5(4((4TERTBUTYLPHENYL)SULFONYL)PIPERAZIN1YL)2NITRON(PYRIDIN3YLMETHYL)ANILINE
5(4(4TERTBUTYLPHENYL)SULFONYLPIPERAZIN1YL)2NITRON(PYRIDIN3YLMETHYL)ANILINE
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CN=CC=C4
InChI=1SC26H31N5O4Sc126(23)216923(10721)36(3435)30151329(141630)2281125(31(32)33)24(1722)2819205412271820h412171828H131619H213H3
MFCD06005404
ZINC000009971721
ZINC09971721
ZINC9971721

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Available files

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