Vitas-M small molecule compound
N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK184534
SMILES S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1cc2nn(nc2cc1C)c1ccc(cc1)C
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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 C22H18N6O3S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O3S/c1-13-7-9-15(10-8-13)27-25-18-11-14(2)17(12-19(18)26-27)23-22(32)24-21(29)16-5-3-4-6-20(16)28(30)31/h3-12H,1-2H3,(H2,23,24,29,32)InChIKey
CAXIOQWOSUYFGO-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4(N+)(=O)(O))C
InChI=1SC22H18N6O3Sc1137915(10813)2725181114(2)17(1219(18)2627)2322(32)2421(29)16534620(16)28(30)31h312H12H3(H223242932)
MFCD02821688
N((6METHYL2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
N((6METHYL2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
S=C(NC(=O)c1ccccc1(N+)(=O)(O))Nc1cc2nn(nc2cc1C)c1ccc(cc1)C
ZINC000001172966
ZINC01172966
ZINC1172966
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