Vitas-M small molecule compound
N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK096565
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F
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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 C21H15FN6O3S MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN6O3S/c1-12-16(3-2-4-19(12)28(30)31)20(29)24-21(32)23-14-7-10-17-18(11-14)26-27(25-17)15-8-5-13(22)6-9-15/h2-11H,1H3,(H2,23,24,29,32)InChIKey
PYRVGWXLYMMLBF-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F
InChI=1SC21H15FN6O3Sc11216(32419(12)28(30)31)20(29)2421(32)23147101718(1114)2627(2517)158513(22)6915h211H1H3(H223242932)
MFCD03109740
N((2(4FLUOROPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
N((2(4FLUOROPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F
STK096565
ZINC000001183547
ZINC01183547
ZINC1183547
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