Vitas-M small molecule compound

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

Catalog ID
STK429104
SMILES CCCOC(=O)c1c(sc2c1CCC(C2)C)NC(=O)c1ccccc1OC

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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 C21H25NO4S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4S/c1-4-11-26-21(24)18-15-10-9-13(2)12-17(15)27-20(18)22-19(23)14-7-5-6-8-16(14)25-3/h5-8,13H,4,9-12H2,1-3H3,(H,22,23)
InChIKey
LBDSJYSLKHGHRE-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CC=C3OC
InChI=1SC21H25NO4Sc14112621(24)181510913(2)1217(15)2720(18)2219(23)14756816(14)253h5813H4912H213H3(H2223)
MFCD01356291
propyl2(((2methoxyphenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2((2methoxybenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002741796
ZINC000002741797

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Available files

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