Vitas-M small molecule compound

N-(furan-2-ylmethyl)-2-nitro-5-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}aniline

Catalog ID
STK157481
SMILES [O-][N+](=O)c1ccc(cc1NCc1ccco1)N1CCN(CC1)S(=O)(=O)c1ccccc1[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 C21H21N5O7S MW 487.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O7S/c27-25(28)19-8-7-16(14-18(19)22-15-17-4-3-13-33-17)23-9-11-24(12-10-23)34(31,32)21-6-2-1-5-20(21)26(29)30/h1-8,13-14,22H,9-12,15H2
InChIKey
IHJIAQALHKMMEH-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1NCc1ccco1)N1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC21H21N5O7Sc2725(28)198716(1418(19)22151743133317)2391124(121023)34(3132)21621520(21)26(29)30h18131422H91215H2
MFCD03614898
N(FURAN2YLMETHYL)2NITRO5(4((2NITROPHENYL)SULFONYL)PIPERAZIN1YL)ANILINE
N(FURAN2YLMETHYL)2NITRO5(4(2NITROPHENYL)SULFONYLPIPERAZIN1YL)ANILINE
ZINC000009720900
ZINC09720900
ZINC9720900

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Available files

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