Vitas-M small molecule compound
4-{(Z)-[(4-{[(2E)-2-(4-{[(4-methoxyphenyl)carbonyl]oxy}-3-nitrobenzylidene)hydrazinyl]carbonyl}phenyl)imino]methyl}-2-nitrophenyl 4-methoxybenzoate
Catalog ID
STK667941
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)c1ccc(cc1)/N=C\c1ccc(c(c1)[N+](=O)[O-])OC(=O)c1ccc(cc1)OC
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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 C37H27N5O11 MW 717.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H27N5O11/c1-50-29-13-7-26(8-14-29)36(44)52-33-17-3-23(19-31(33)41(46)47)21-38-28-11-5-25(6-12-28)35(43)40-39-22-24-4-18-34(32(20-24)42(48)49)53-37(45)27-9-15-30(51-2)16-10-27/h3-22H,1-2H3,(H,40,43)/b38-21-,39-22+InChIKey
SMXHSSXSLKZKQG-VCWZVEJRSA-NSynonyms
4((Z)((4(((2E)2(4(((4methoxyphenyl)carbonyl)oxy)3nitrobenzylidene)hydrazinyl)carbonyl)phenyl)imino)methyl)2nitrophenyl4methoxybenzoate
COc1ccc(cc1)C(=O)Oc1ccc(cc1(N+)(=O)(O))C=NNC(=O)c1ccc(cc1)N=Cc1ccc(c(c1)(N+)(=O)(O))OC(=O)c1ccc(cc1)OC
MFCD00731489
ZINC000150346260
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