Vitas-M small molecule compound

2-chloro-5-{5-[(Z)-(2-{6-[(2,3-dimethylphenyl)amino][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazinylidene)methyl]furan-2-yl}benzoic acid

Catalog ID
STK677058
SMILES OC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=N\Nc1nc2nonc2nc1Nc1cccc(c1C)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 C24H18ClN7O4 MW 503.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN7O4/c1-12-4-3-5-18(13(12)2)27-20-21(29-23-22(28-20)31-36-32-23)30-26-11-15-7-9-19(35-15)14-6-8-17(25)16(10-14)24(33)34/h3-11H,1-2H3,(H,33,34)(H,27,28,31)(H,29,30,32)/b26-11-
InChIKey
HGFUESBBNHODPH-RAWMCFOBSA-N
Synonyms

2CHLORO5(5((Z)((6(23DIMETHYLANILINO)(125)OXADIAZOLO(34B)PYRAZIN5YL)HYDRAZINYLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro5(5((Z)(2(6((23dimethylphenyl)amino)(125)oxadiazolo(34b)pyrazin5yl)hydrazinylidene)methyl)furan2yl)benzoicacid
5(5((1Z)2((6((23DIMETHYLPHENYL)AMINO)(125OXADIAZOLO(34E)PYRAZIN5YL))AMINO)2AZAVINYL)(2FURYL))2CHLOROBENZOICACID
CC1=C(C(=CC=C1)NC2=NC3=NON=C3N=C2NN=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O)C
InChI=1SC24H18ClN7O4c11243518(13(12)2)272021(292322(2820)31363223)302611157919(3515)146817(25)16(1014)24(33)34h311H12H3(H3334)(H272831)(H293032)b2611
MFCD02648535
OC(=O)c1cc(ccc1Cl)c1ccc(o1)C=NNc1nc2nonc2nc1Nc1cccc(c1C)C
ZINC000008854827
ZINC33568542

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Available files

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