Vitas-M small molecule compound

2-(methylsulfanyl)ethyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Catalog ID
STK405821
SMILES CSCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C2)c1ccc(cc1)OCC

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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/c1-4-25-16-7-5-14(6-8-16)15-11-17-19(18(23)12-15)13(2)20(22-17)21(24)26-9-10-27-3/h5-8,15,22H,4,9-12H2,1-3H3
InChIKey
DYHOOFSECQLLDA-UHFFFAOYSA-N
Synonyms

2(methylsulfanyl)ethyl6(4ethoxyphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
2methylsulfanylethyl6(4ethoxyphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
2METHYLTHIOETHYL6(4ETHOXYPHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OCCSC)C)C(=O)C2
CSCCOC(=O)c1(nH)c2c(c1C)C(=O)CC(C2)c1ccc(cc1)OCC
InChI=1SC21H25NO4Sc1425167514(6816)15111719(18(23)1215)13(2)20(2217)21(24)26910273h581522H4912H213H3
MFCD06752722
ZINC000004488734
ZINC000004488735

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Available files

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