Vitas-M small molecule compound
5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(tetrahydrofuran-2-ylmethyl)aniline
Catalog ID
STK010923
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCC1CCCO1)[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 C22H28N4O5S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O5S/c1-17-4-7-20(8-5-17)32(29,30)25-12-10-24(11-13-25)18-6-9-22(26(27)28)21(15-18)23-16-19-3-2-14-31-19/h4-9,15,19,23H,2-3,10-14,16H2,1H3InChIKey
XCLFDWHDQWQQEL-UHFFFAOYSA-NSynonyms
5(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)2NITRON(TETRAHYDROFURAN2YLMETHYL)ANILINE
5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)2NITRON(OXOLAN2YLMETHYL)ANILINE
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4CCCO4
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCC1CCCO1)(N+)(=O)(O)
InChI=1SC22H28N4O5Sc1174720(8517)32(2930)25121024(111325)186922(26(27)28)21(1518)23161932143119h49151923H23101416H21H3
MFCD03306482
STK010923
ZINC000008916915
ZINC000008916918
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