Vitas-M small molecule compound

N-{2,5-dimethoxy-4-[(phenylcarbonyl)amino]phenyl}-N'-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pentanediamide

Catalog ID
STK061842
SMILES COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCCC(=O)NC12CC3CC(C2)CC(C1)C3)OC

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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 C30H37N3O5 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O5/c1-37-25-15-24(32-29(36)22-7-4-3-5-8-22)26(38-2)14-23(25)31-27(34)9-6-10-28(35)33-30-16-19-11-20(17-30)13-21(12-19)18-30/h3-5,7-8,14-15,19-21H,6,9-13,16-18H2,1-2H3,(H,31,34)(H,32,36)(H,33,35)
InChIKey
ZDOQWZLZCBVVOT-UHFFFAOYSA-N
Synonyms

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CCCC(=O)NC34CC5CC(C3)CC(C5)C4
COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCCC(=O)NC12CC3CC(C2)CC(C1)C3)OC
InChI=1SC30H37N3O5c137251524(3229(36)227435822)26(382)1423(25)3127(34)961028(35)333016191120(1730)1321(1219)1830h357814151921H69131618H212H3(H3134)(H3236)(H3335)
MFCD08051582
N(1ADAMANTYL)N(4BENZAMIDO25DIMETHOXYPHENYL)PENTANEDIAMIDE
N(25dimethoxy4((phenylcarbonyl)amino)phenyl)N(tricyclo(3311~37~)dec1yl)pentanediamide
STK061842
ZINC000009553600
ZINC09553600
ZINC9553600

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Available files

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