Vitas-M small molecule compound
N-{[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK255176
SMILES CCCC(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=S)NC(=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 C22H24ClN5O4S MW 489.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O4S/c1-2-5-20(29)27-12-10-26(11-13-27)19-9-8-15(14-17(19)23)24-22(33)25-21(30)16-6-3-4-7-18(16)28(31)32/h3-4,6-9,14H,2,5,10-13H2,1H3,(H2,24,25,30,33)InChIKey
YZWAIEQSDPSLRR-UHFFFAOYSA-NSynonyms
CCCC(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3(N+)(=O)(O))Cl
InChI=1SC22H24ClN5O4Sc12520(29)27121026(111327)199815(1417(19)23)2422(33)2521(30)16634718(16)28(31)32h346914H251013H21H3(H224253033)
MFCD03999826
N((4(4butanoylpiperazin1yl)3chlorophenyl)carbamothioyl)2nitrobenzamide
ZINC000009355127
ZINC09355127
ZINC9355127
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