Vitas-M small molecule compound

methyl 2-[({[5-(4-butoxyphenyl)-2,2-dimethyl-2H-imidazol-4-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL143871
SMILES CCCCOc1ccc(cc1)C1=NC(N=C1SCC(=O)Nc1ccccc1C(=O)OC)(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 C25H29N3O4S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4S/c1-5-6-15-32-18-13-11-17(12-14-18)22-23(28-25(2,3)27-22)33-16-21(29)26-20-10-8-7-9-19(20)24(30)31-4/h7-14H,5-6,15-16H2,1-4H3,(H,26,29)
InChIKey
BQBKGPAYSMYGFY-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=C(C=C1)C2=NC(N=C2SCC(=O)NC3=CC=CC=C3C(=O)OC)(C)C
InChI=1SC25H29N3O4Sc156153218131117(121418)2223(2825(23)2722)331621(29)26201087919(20)24(30)314h714H561516H214H3(H2629)
methyl2((((5(4butoxyphenyl)22dimethyl2Himidazol4yl)sulfanyl)acetyl)amino)benzoate
methyl2((2(5(4butoxyphenyl)22dimethylimidazol4yl)sulfanylacetyl)amino)benzoate
MFCD20750194
ZINC000071328020
ZINC71328020

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Available files

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