Vitas-M small molecule compound

propyl 2-{[(3,5-dimethylphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK957974
SMILES CCCOC(=O)c1c(NC(=O)COc2cc(C)cc(c2)C)sc2c1CCC(C2)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 C23H29NO4S MW 415.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO4S/c1-5-8-27-23(26)21-18-7-6-14(2)12-19(18)29-22(21)24-20(25)13-28-17-10-15(3)9-16(4)11-17/h9-11,14H,5-8,12-13H2,1-4H3,(H,24,25)
InChIKey
PVMZSTAOHAUHCS-UHFFFAOYSA-N
Synonyms
438618-69-0
438618690
CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=CC(=CC(=C3)C)C
InChI=1SC23H29NO4Sc1582723(26)21187614(2)1219(18)2922(21)2420(25)1328171015(3)916(4)1117h91114H581213H214H3(H2425)
MFCD01920376
propyl2(((35dimethylphenoxy)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2((2(35dimethylphenoxy)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002745415
ZINC000002745416

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Available files

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