Vitas-M small molecule compound
N-{[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STK035312
SMILES S=C(NC(=O)c1ccccc1[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 C20H13FN6O3S MW 436.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13FN6O3S/c21-12-5-8-14(9-6-12)26-24-16-10-7-13(11-17(16)25-26)22-20(31)23-19(28)15-3-1-2-4-18(15)27(29)30/h1-11H,(H2,22,23,28,31)InChIKey
WSDGUEHOQDPRRN-UHFFFAOYSA-NSynonyms
C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)(N+)(=O)(O)
InChI=1SC20H13FN6O3Sc21125814(9612)26241610713(1117(16)2526)2220(31)2319(28)15312418(15)27(29)30h111H(H222232831)
MFCD02821681
N(((2(4FLUOROPHENYL)(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)(2NITROPHENYL)CARBOXAMIDE
N((2(4FLUOROPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
N((2(4FLUOROPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)2NITROBENZAMIDE
S=C(NC(=O)c1ccccc1(N+)(=O)(O))Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F
STK035312
ZINC000001173745
ZINC01173745
ZINC1173745
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