Vitas-M small molecule compound

N-(2,5-dimethoxyphenyl)-2-[(3-methoxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK385889
SMILES COc1cccc(c1)CNc1sc2c(c1C(=O)Nc1cc(OC)ccc1OC)CCCC2

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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 C25H28N2O4S MW 452.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4S/c1-29-17-8-6-7-16(13-17)15-26-25-23(19-9-4-5-10-22(19)32-25)24(28)27-20-14-18(30-2)11-12-21(20)31-3/h6-8,11-14,26H,4-5,9-10,15H2,1-3H3,(H,27,28)
InChIKey
DIEHPDGJCGKRJV-UHFFFAOYSA-N
Synonyms

COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC(=CC=C4)OC
InChI=1SC25H28N2O4Sc1291786716(1317)15262523(199451022(19)3225)24(28)27201418(302)111221(20)313h68111426H4591015H213H3(H2728)
MFCD02938306
N(25dimethoxyphenyl)2((3methoxybenzyl)amino)4567tetrahydro1benzothiophene3carboxamide
N(25dimethoxyphenyl)2((3methoxyphenyl)methylamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000002909399
ZINC02909399
ZINC2909399

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Available files

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