Vitas-M small molecule compound

1-[3-(benzyloxy)-4-methoxybenzyl]-4-[(2-nitrophenyl)sulfonyl]piperazine

Catalog ID
STK194903
SMILES COc1ccc(cc1OCc1ccccc1)CN1CCN(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 C25H27N3O6S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6S/c1-33-23-12-11-21(17-24(23)34-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)35(31,32)25-10-6-5-9-22(25)28(29)30/h2-12,17H,13-16,18-19H2,1H3
InChIKey
IXTHRXDHLWJNDG-UHFFFAOYSA-N
Synonyms

1((4METHOXY3PHENYLMETHOXYPHENYL)METHYL)4(2NITROPHENYL)SULFONYLPIPERAZINE
1(3(BENZYLOXY)4METHOXYBENZYL)4((2NITROPHENYL)SULFONYL)PIPERAZINE
COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))OCC4=CC=CC=C4
COc1ccc(cc1OCc1ccccc1)CN1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC25H27N3O6Sc13323121121(1724(23)3419207324820)1826131527(161426)35(3132)251065922(25)28(29)30h21217H13161819H21H3
MFCD02816250
ZINC000019852101
ZINC19852101

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Available files

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