Vitas-M small molecule compound

ethyl {[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

Catalog ID
STL401696
SMILES COCCCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)OCC

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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 C17H24N4O4S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N4O4S/c1-5-25-15(22)11-26-17-18-14(9-13-10-20(3)19-12(13)2)16(23)21(17)7-6-8-24-4/h9-10H,5-8,11H2,1-4H3/b14-9+
InChIKey
VCMJVTHIFUNODK-NTEUORMPSA-N
Synonyms
1005671-83-9
1005671839
CCOC(=O)CSC1=NC(=CC2=CN(N=C2C)C)C(=O)N1CCCOC
COCCCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)OCC
ethyl(((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(3methoxypropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetate
ethyl2((4E)4((13dimethylpyrazol4yl)methylidene)1(3methoxypropyl)5oxoimidazol2yl)sulfanylacetate
InChI=1SC17H24N4O4Sc152515(22)1126171814(9131020(3)1912(13)2)16(23)21(17)768244h910H5811H214H3b149+
MFCD04050300
ZINC000002785559
ZINC02785559
ZINC2785559

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Available files

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