Vitas-M small molecule compound

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

Catalog ID
STK433234
SMILES CCCOC(=O)c1c(NC(=O)c2cccc(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 C21H25NO3S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3S/c1-4-10-25-21(24)18-16-9-8-14(3)12-17(16)26-20(18)22-19(23)15-7-5-6-13(2)11-15/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,22,23)
InChIKey
LSMHJHUORDDCRA-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=CC=C3)C
InChI=1SC21H25NO3Sc14102521(24)18169814(3)1217(16)2620(18)2219(23)1575613(2)1115h571114H481012H213H3(H2223)
MFCD01834974
propyl6methyl2(((3methylphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl6methyl2((3methylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002085416
ZINC000002085417

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Available files

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