Vitas-M small molecule compound
4-ethoxy-N-[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Catalog ID
STK034109
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=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 C21H16FN5O4 MW 421.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN5O4/c1-2-31-20-10-3-13(11-19(20)27(29)30)21(28)23-15-6-9-17-18(12-15)25-26(24-17)16-7-4-14(22)5-8-16/h3-12H,2H2,1H3,(H,23,28)InChIKey
JISAYBIWZGKEIJ-UHFFFAOYSA-NSynonyms
4ethoxyN(2(4fluorophenyl)2Hbenzo(d)(123)triazol5yl)3nitrobenzamide
4ETHOXYN(2(4FLUOROPHENYL)2HBENZOTRIAZOL5YL)3NITROBENZAMIDE
4ETHOXYN(2(4FLUOROPHENYL)BENZOTRIAZOL5YL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1ccc2c(c1)nn(n2)c1ccc(cc1)F
InChI=1SC21H16FN5O4c12312010313(1119(20)27(29)30)21(28)2315691718(1215)2526(2417)167414(22)5816h312H2H21H3(H2328)
MFCD02213582
STK034109
ZINC000002198680
ZINC02198680
ZINC2198680
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