Vitas-M small molecule compound

4-chloro-N-{2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl}benzamide

Catalog ID
STK515231
SMILES COc1cc(/C=N/Nc2sc(c(n2)c2ccc(cc2)F)NC(=O)c2ccc(cc2)Cl)ccc1OC

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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 C25H20ClFN4O3S MW 510.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClFN4O3S/c1-33-20-12-3-15(13-21(20)34-2)14-28-31-25-29-22(16-6-10-19(27)11-7-16)24(35-25)30-23(32)17-4-8-18(26)9-5-17/h3-14H,1-2H3,(H,29,31)(H,30,32)/b28-14+
InChIKey
AQHLYNRXUFOMFG-CCVNUDIWSA-N
Synonyms

4chloroN(2((2E)2((34dimethoxyphenyl)methylidene)hydrazinyl)4(4fluorophenyl)13thiazol5yl)benzamide
4chloroN(2((2E)2(34dimethoxybenzylidene)hydrazinyl)4(4fluorophenyl)13thiazol5yl)benzamide
COC1=C(C=C(C=C1)C=NNC2=NC(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F)OC
COc1cc(C=NNc2sc(c(n2)c2ccc(cc2)F)NC(=O)c2ccc(cc2)Cl)ccc1OC
InChI=1SC25H20ClFN4O3Sc1332012315(1321(20)342)142831252922(1661019(27)11716)24(3525)3023(32)174818(26)9517h314H12H3(H2931)(H3032)b2814+
MFCD06645158
ZINC000016741712
ZINC33530073

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Available files

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