Vitas-M small molecule compound

N'-{(1E)-1-[4-(2-methylpropoxy)phenyl]ethylidene}-2-(5-methylthiophen-2-yl)quinoline-4-carbohydrazide

Catalog ID
STK424752
SMILES CC(COc1ccc(cc1)/C(=N/NC(=O)c1cc(nc2c1cccc2)c1ccc(s1)C)/C)C

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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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-17(2)16-32-21-12-10-20(11-13-21)19(4)29-30-27(31)23-15-25(26-14-9-18(3)33-26)28-24-8-6-5-7-22(23)24/h5-15,17H,16H2,1-4H3,(H,30,31)/b29-19+
InChIKey
PGVGFONEVUUNBL-VUTHCHCSSA-N
Synonyms

CC(COc1ccc(cc1)C(=NNC(=O)c1cc(nc2c1cccc2)c1ccc(s1)C)C)C
CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CC=C(C=C4)OCC(C)C
InChI=1SC27H27N3O2Sc117(2)163221121020(111321)19(4)293027(31)231525(2614918(3)3326)2824865722(23)24h51517H16H214H3(H3031)b2919+
MFCD02373749
N((1E)1(4(2methylpropoxy)phenyl)ethylidene)2(5methylthiophen2yl)quinoline4carbohydrazide
N((1E)2(4(2METHYLPROPOXY)PHENYL)1AZAPROP1ENYL)(2(5METHYL(2THIENYL))(4QUINOLYL))CARBOXAMIDE
N((E)1(4(2methylpropoxy)phenyl)ethylideneamino)2(5methylthiophen2yl)quinoline4carboxamide
N(1(4ISOBUTOXYPHENYL)ETHYLIDENE)2(5METHYL2THIENYL)4QUINOLINECARBOHYDRAZIDE
ZINC000008454665
ZINC33749551

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.