Vitas-M small molecule compound

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

Catalog ID
STK436937
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C(Oc1ccc(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 C23H29NO4S MW 415.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO4S/c1-6-16-8-9-17-19(12-16)29-22(20(17)23(26)27-5)24-21(25)15(4)28-18-10-7-13(2)11-14(18)3/h7,10-11,15-16H,6,8-9,12H2,1-5H3,(H,24,25)
InChIKey
FUGVJZMSIUIRCH-UHFFFAOYSA-N
Synonyms

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C)OC3=C(C=C(C=C3)C)C
InChI=1SC23H29NO4Sc1616891719(1216)2922(20(17)23(26)275)2421(25)15(4)281810713(2)1114(18)3h710111516H68912H215H3(H2425)
methyl2((2(24dimethylphenoxy)propanoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2(2(24dimethylphenoxy)propanoylamino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945220
ZINC000005984697
ZINC000005984969

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Available files

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