Vitas-M small molecule compound

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

Catalog ID
STK315701
SMILES CCCOC(=O)c1c(NC(=O)Cc2ccc(c(c2)OC)OC)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 C23H29NO5S MW 431.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5S/c1-5-10-29-23(26)21-16-8-6-14(2)11-19(16)30-22(21)24-20(25)13-15-7-9-17(27-3)18(12-15)28-4/h7,9,12,14H,5-6,8,10-11,13H2,1-4H3,(H,24,25)
InChIKey
QCCGVVDZKJCISV-UHFFFAOYSA-N
Synonyms
438468-05-4
438468054
CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3=CC(=C(C=C3)OC)OC
InChI=1SC23H29NO5Sc15102923(26)21168614(2)1119(16)3022(21)2420(25)13157917(273)18(1215)284h791214H568101113H214H3(H2425)
MFCD02371441
propyl2(((34dimethoxyphenyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2((2(34dimethoxyphenyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002751732
ZINC000002751733

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Available files

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