Vitas-M small molecule compound
N-(4-{[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]sulfonyl}phenyl)acetamide
Catalog ID
STK147715
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[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 C30H39N5O5S MW 581.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N5O5S/c1-20(30-17-22-13-23(18-30)15-24(14-22)19-30)31-28-16-26(5-8-29(28)35(37)38)33-9-11-34(12-10-33)41(39,40)27-6-3-25(4-7-27)32-21(2)36/h3-8,16,20,22-24,31H,9-15,17-19H2,1-2H3,(H,32,36)InChIKey
ORKIHRWQYUITAZ-UHFFFAOYSA-NSynonyms
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC=C(C=C6)NC(=O)C)(N+)(=O)(O)
InChI=1SC30H39N5O5Sc120(3017221323(1830)1524(1422)1930)31281626(5829(28)35(37)38)3391134(121033)41(3940)276325(4727)3221(2)36h381620222431H9151719H212H3(H3236)
MFCD03032123
N(4((4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)sulfonyl)phenyl)acetamide
N(4(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)SULFONYLPHENYL)ACETAMIDE
ZINC000033354955
ZINC000033354957
Check stock
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Check stock on Vitas-MAvailable files
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