Vitas-M small molecule compound

1-benzyl-4-(2-nitro-5-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}phenyl)piperazine

Catalog ID
STK205852
SMILES [O-][N+](=O)c1ccc(cc1N1CCN(CC1)Cc1ccccc1)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 C27H30N6O6S MW 566.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O6S/c34-32(35)24-11-10-23(20-26(24)30-14-12-28(13-15-30)21-22-6-2-1-3-7-22)29-16-18-31(19-17-29)40(38,39)27-9-5-4-8-25(27)33(36)37/h1-11,20H,12-19,21H2
InChIKey
FMPBWXPFMBQSRS-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1N1CCN(CC1)Cc1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
1BENZYL4(2NITRO5(4((2NITROPHENYL)SULFONYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
1benzyl4(2nitro5(4(2nitrophenyl)sulfonylpiperazin1yl)phenyl)piperazine
C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC27H30N6O6Sc3432(35)24111023(2026(24)30141228(131530)21226213722)29161831(191729)40(3839)27954825(27)33(36)37h11120H121921H2
MFCD06123845
ZINC000100393932
ZINC100393932

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Available files

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