Vitas-M small molecule compound
1-({[3-(benzylsulfonyl)-5-nitrophenyl]sulfanyl}acetyl)piperidin-4-one
Catalog ID
STK967586
SMILES O=C1CCN(CC1)C(=O)CSc1cc(cc(c1)S(=O)(=O)Cc1ccccc1)[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 C20H20N2O6S2 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S2/c23-17-6-8-21(9-7-17)20(24)13-29-18-10-16(22(25)26)11-19(12-18)30(27,28)14-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2InChIKey
HHGLRZAALIIHMQ-UHFFFAOYSA-NSynonyms
1(((3(benzylsulfonyl)5nitrophenyl)sulfanyl)acetyl)piperidin4one
1(2(3BENZYLSULFONYL5NITROPHENYL)SULFANYLACETYL)PIPERIDIN4ONE
C1CN(CCC1=O)C(=O)CSC2=CC(=CC(=C2)(N+)(=O)(O))S(=O)(=O)CC3=CC=CC=C3
InChI=1SC20H20N2O6S2c23176821(9717)20(24)1329181016(22(25)26)1119(1218)30(2728)14154213515h151012H691314H2
MFCD03467765
O=C1CCN(CC1)C(=O)CSc1cc(cc(c1)S(=O)(=O)Cc1ccccc1)(N+)(=O)(O)
ZINC000002792871
ZINC02792871
ZINC2792871
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