Vitas-M small molecule compound
N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-nitrobenzamide
Catalog ID
STK183990
SMILES COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=O)c1ccccc1[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/c1-13-11-18-19(24-25(23-18)14-7-9-15(30-2)10-8-14)12-17(13)22-21(27)16-5-3-4-6-20(16)26(28)29/h3-12H,1-2H3,(H,22,27)InChIKey
JIRKTXRPWUCSBB-UHFFFAOYSA-NSynonyms
CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC=CC=C3(N+)(=O)(O))C4=CC=C(C=C4)OC
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC21H17N5O4c113111819(2425(2318)147915(302)10814)1217(13)2221(27)16534620(16)26(28)29h312H12H3(H2227)
MFCD02219720
N(2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)2NITROBENZAMIDE
N(2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)2NITROBENZAMIDE
ZINC000001187121
ZINC01187121
ZINC1187121
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