Vitas-M small molecule compound
N'-[(Z)-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene]-1,3-benzodioxole-5-carbohydrazide
Catalog ID
STL172974
SMILES COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)/C=N\NC(=O)c1ccc2c(c1)OCO2
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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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-27(2,3)21-7-9-22(10-8-21)32-16-20-13-18(5-11-23(20)31-4)15-28-29-26(30)19-6-12-24-25(14-19)34-17-33-24/h5-15H,16-17H2,1-4H3,(H,29,30)/b28-15-InChIKey
BDFXMWRMOZEMJW-MBTHVWNTSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=CC4=C(C=C3)OCO4)OC
COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)C=NNC(=O)c1ccc2c(c1)OCO2
InChI=1SC27H28N2O5c127(23)217922(10821)3216201318(51123(20)314)15282926(30)196122425(1419)34173324h515H1617H214H3(H2930)b2815
MFCD04047699
N((Z)(3((4tertbutylphenoxy)methyl)4methoxyphenyl)methylidene)13benzodioxole5carbohydrazide
N((Z)(3((4tertbutylphenoxy)methyl)4methoxyphenyl)methylideneamino)13benzodioxole5carboxamide
ZINC000028632639
ZINC2761304
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