Vitas-M small molecule compound
4-[(E)-{2-[(4-tert-butylphenoxy)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 2-chlorobenzoate
Catalog ID
STK394708
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2)C(C)(C)C)ccc1OC(=O)c1ccccc1Cl
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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 C27H27ClN2O5 MW 494.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O5/c1-27(2,3)19-10-12-20(13-11-19)34-17-25(31)30-29-16-18-9-14-23(24(15-18)33-4)35-26(32)21-7-5-6-8-22(21)28/h5-16H,17H2,1-4H3,(H,30,31)/b29-16+InChIKey
VQIUWWMHLKIJQY-MUFRIFMGSA-NSynonyms
(4((E)((2(4tertbutylphenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl)2chlorobenzoate
4((E)(2((4tertbutylphenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl2chlorobenzoate
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC
COc1cc(C=NNC(=O)COc2ccc(cc2)C(C)(C)C)ccc1OC(=O)c1ccccc1Cl
InChI=1SC27H27ClN2O5c127(23)19101220(131119)341725(31)3029161891423(24(1518)334)3526(32)21756822(21)28h516H17H214H3(H3031)b2916+
MFCD00645948
ZINC000003033287
ZINC97024092
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