Vitas-M small molecule compound
4-[(E)-(2-{[4-(butan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]-2-ethoxyphenyl 4-nitrobenzoate
Catalog ID
STK217049
SMILES CCOc1cc(/C=N/NC(=O)COc2ccc(cc2)C(CC)C)ccc1OC(=O)c1ccc(cc1)[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 C28H29N3O7 MW 519.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O7/c1-4-19(3)21-9-13-24(14-10-21)37-18-27(32)30-29-17-20-6-15-25(26(16-20)36-5-2)38-28(33)22-7-11-23(12-8-22)31(34)35/h6-17,19H,4-5,18H2,1-3H3,(H,30,32)/b29-17+InChIKey
ZMUIWIXFKQLUSO-STBIYBPSSA-NSynonyms
(4((E)((2(4butan2ylphenoxy)acetyl)hydrazinylidene)methyl)2ethoxyphenyl)4nitrobenzoate
4((E)(2((4(butan2yl)phenoxy)acetyl)hydrazinylidene)methyl)2ethoxyphenyl4nitrobenzoate
CCC(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))OCC
CCOc1cc(C=NNC(=O)COc2ccc(cc2)C(CC)C)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H29N3O7c1419(3)2191324(141021)371827(32)3029172061525(26(1620)3652)3828(33)2271123(12822)31(34)35h61719H4518H213H3(H3032)b2917+
MFCD08681088
ZINC000010059561
ZINC000010059562
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