Vitas-M small molecule compound
[2-(benzylsulfanyl)phenyl][4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
Catalog ID
STK736449
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccccc1SCc1ccccc1
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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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-32-20-11-12-22(23(17-20)28(30)31)26-13-15-27(16-14-26)25(29)21-9-5-6-10-24(21)33-18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3InChIKey
GZWPPBWKZXMIOZ-UHFFFAOYSA-NSynonyms
(2(benzylsulfanyl)phenyl)(4(4methoxy2nitrophenyl)piperazin1yl)methanone
(2BENZYLSULFANYLPHENYL)(4(4METHOXY2NITROPHENYL)PIPERAZIN1YL)METHANONE
COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1SCc1ccccc1
InChI=1SC25H25N3O4Sc13220111222(23(1720)28(30)31)26131527(161426)25(29)219561024(21)3318197324819h21217H131618H21H3
MFCD07658088
ZINC000012420101
ZINC12420101
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