Vitas-M small molecule compound
N-{[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Catalog ID
STK345631
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCN(CC1)CC
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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 C22H26ClN5O4S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN5O4S/c1-3-26-9-11-27(12-10-26)18-7-6-16(14-17(18)23)24-22(33)25-21(29)15-5-8-20(32-4-2)19(13-15)28(30)31/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,24,25,29,33)InChIKey
JAXMMKJJUJGYGW-UHFFFAOYSA-NSynonyms
1(3CHLORO4(4ETHYLPIPERAZIN1YL)PHENYL)3(4ETHOXY3NITROBENZOYL)THIOUREA
CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC)(N+)(=O)(O))Cl
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCN(CC1)CC
InChI=1SC22H26ClN5O4Sc132691127(121026)187616(1417(18)23)2422(33)2521(29)155820(3242)19(1315)28(30)31h581314H34912H212H3(H224252933)
MFCD04076345
N((3chloro4(4ethylpiperazin1yl)phenyl)carbamothioyl)4ethoxy3nitrobenzamide
ZINC000016319560
ZINC16319560
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