Vitas-M small molecule compound

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

Catalog ID
STK405786
SMILES CCOc1ccc(cc1)C1CC(=O)c2c(C1)[nH]c(c2C)C(=O)OC1CCCCCCC1

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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 C26H33NO4 MW 423.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO4/c1-3-30-20-13-11-18(12-14-20)19-15-22-24(23(28)16-19)17(2)25(27-22)26(29)31-21-9-7-5-4-6-8-10-21/h11-14,19,21,27H,3-10,15-16H2,1-2H3
InChIKey
USJSZPCBONHBJW-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC4CCCCCCC4)C)C(=O)C2
CCOc1ccc(cc1)C1CC(=O)c2c(C1)(nH)c(c2C)C(=O)OC1CCCCCCC1
cyclooctyl6(4ethoxyphenyl)3methyl4oxo1567tetrahydroindole2carboxylate
cyclooctyl6(4ethoxyphenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
CYCLOOCTYL6(4ETHOXYPHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
InChI=1SC26H33NO4c133020131118(121420)19152224(23(28)1619)17(2)25(2722)26(29)31219754681021h1114192127H3101516H212H3
MFCD06754376
ZINC000004912209
ZINC000004912214

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Available files

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