Vitas-M small molecule compound
N-{[3-chloro-4-(piperidin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
Catalog ID
STK105298
SMILES S=C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)Nc1ccc(c(c1)Cl)N1CCCCC1
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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 C20H21ClN4O3S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O3S/c1-13-5-6-14(11-18(13)25(27)28)19(26)23-20(29)22-15-7-8-17(16(21)12-15)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H2,22,23,26,29)InChIKey
WXNNIVUDKXFMLE-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)(N+)(=O)(O)
InChI=1SC20H21ClN4O3Sc1135614(1118(13)25(27)28)19(26)2320(29)22157817(16(21)1215)2493241024h581112H24910H21H3(H222232629)
MFCD02631758
N(((3CHLORO4PIPERIDYLPHENYL)AMINO)THIOXOMETHYL)(4METHYL3NITROPHENYL)CARBOXAMIDE
N((3CHLORO4(PIPERIDIN1YL)PHENYL)CARBAMOTHIOYL)4METHYL3NITROBENZAMIDE
N((3CHLORO4PIPERIDIN1YLPHENYL)CARBAMOTHIOYL)4METHYL3NITROBENZAMIDE
S=C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)Nc1ccc(c(c1)Cl)N1CCCCC1
ZINC000001173979
ZINC01173979
ZINC1173979
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