Vitas-M small molecule compound
N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-3-nitrobenzamide
Catalog ID
STK863535
SMILES CCOc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C21H17N5O4 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4/c1-2-30-18-9-7-16(8-10-18)25-23-19-11-6-15(13-20(19)24-25)22-21(27)14-4-3-5-17(12-14)26(28)29/h3-13H,2H2,1H3,(H,22,27)InChIKey
XNWAVXANOAWSEZ-UHFFFAOYSA-NSynonyms
313402-20-9313402209
CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
CCOc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H17N5O4c1230189716(81018)25231911615(1320(19)2425)2221(27)1443517(1214)26(28)29h313H2H21H3(H2227)
MFCD01064047
N(2(4ethoxyphenyl)2Hbenzo(d)(123)triazol5yl)3nitrobenzamide
N(2(4ethoxyphenyl)2Hbenzotriazol5yl)3nitrobenzamide
N(2(4ETHOXYPHENYL)BENZOTRIAZOL5YL)3NITROBENZAMIDE
ZINC000000989988
ZINC00989988
ZINC989988
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