Vitas-M small molecule compound
N-[2-(4-ethylphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide
Catalog ID
STK319593
SMILES CCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=O)c1cc(ccc1N1CCOCC1)[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 C26H26N6O4 MW 486.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O4/c1-3-18-4-6-19(7-5-18)31-28-23-14-17(2)22(16-24(23)29-31)27-26(33)21-15-20(32(34)35)8-9-25(21)30-10-12-36-13-11-30/h4-9,14-16H,3,10-13H2,1-2H3,(H,27,33)InChIKey
BUNJBULTXNXPBH-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C=CC(=C4)(N+)(=O)(O))N5CCOCC5)C
CCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O)
InChI=1SC26H26N6O4c13184619(7518)3128231417(2)22(1624(23)2931)2726(33)211520(32(34)35)8925(21)30101236131130h491416H31013H212H3(H2733)
MFCD09454374
N(2(4ethylphenyl)6methyl2Hbenzotriazol5yl)2(morpholin4yl)5nitrobenzamide
N(2(4ethylphenyl)6methylbenzotriazol5yl)2morpholin4yl5nitrobenzamide
ZINC000012651203
ZINC12651203
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