Vitas-M small molecule compound
N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK029469
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cc2nn(nc2cc1Cl)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 C22H17ClN6O3S MW 480.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN6O3S/c1-12-6-8-14(9-7-12)28-26-18-10-16(23)17(11-19(18)27-28)24-22(33)25-21(30)15-4-3-5-20(13(15)2)29(31)32/h3-11H,1-2H3,(H2,24,25,30,33)InChIKey
UAOVSWMGHIBPNA-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
InChI=1SC22H17ClN6O3Sc1126814(9712)2826181016(23)17(1119(18)2728)2422(33)2521(30)1543520(13(15)2)29(31)32h311H12H3(H224253033)
MFCD03146897
N((6CHLORO2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
N((6CHLORO2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cc2nn(nc2cc1Cl)c1ccc(cc1)C
STK029469
ZINC000001156162
ZINC01156162
ZINC1156162
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