Vitas-M small molecule compound
1-(3-ethoxy-4-methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine
Catalog ID
STK076381
SMILES CCOc1cc(ccc1OC)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 C20H25N3O6S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O6S/c1-3-29-19-14-16(8-9-18(19)28-2)15-21-10-12-22(13-11-21)30(26,27)20-7-5-4-6-17(20)23(24)25/h4-9,14H,3,10-13,15H2,1-2H3InChIKey
BABUSDOUNKOKPA-UHFFFAOYSA-NSynonyms
1((3ETHOXY4METHOXYPHENYL)METHYL)4(2NITROPHENYL)SULFONYLPIPERAZINE
1(3ETHOXY4METHOXYBENZYL)4((2NITROPHENYL)SULFONYL)PIPERAZINE
1(3ethoxy4methoxybenzyl)4((2nitrophenyl)sulfonyl)piperazineoxalate
CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))OC
CCOc1cc(ccc1OC)CN1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC20H25N3O6Sc1329191416(8918(19)282)1521101222(131121)30(2627)20754617(20)23(24)25h4914H3101315H212H3
MFCD02816243
OC(=O)C(=O)OCCOc1cc(ccc1OC)CN1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
STK076381
ZINC000019853249
ZINC19853249
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