Vitas-M small molecule compound

methyl 2-({1-oxo-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl}sulfanyl)benzoate

Catalog ID
STK736088
SMILES COC(=O)c1ccccc1SC(C(=O)Nc1c(C)cc(cc1C)C)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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-12-10-13(2)18(14(3)11-12)21-19(22)15(4)25-17-9-7-6-8-16(17)20(23)24-5/h6-11,15H,1-5H3,(H,21,22)
InChIKey
FMORNDCKJNEMMZ-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=CC=CC=C2C(=O)OC)C
InChI=1SC20H23NO3Sc1121013(2)18(14(3)1112)2119(22)15(4)2517976816(17)20(23)245h61115H15H3(H2122)
METHYL2(((2R)1OXO1((246TRIMETHYLPHENYL)AMINO)PROPAN2YL)SULFANYL)BENZOATE
methyl2((1oxo1((246trimethylphenyl)amino)propan2yl)sulfanyl)benzoate
METHYL2((2(MESITYLAMINO)1METHYL2OXOETHYL)SULFANYL)BENZOATE
METHYL2(1OXO1(246TRIMETHYLANILINO)PROPAN2YL)SULFANYLBENZOATE
MFCD05860664
ZINC000001431441
ZINC000001431442

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Available files

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