Vitas-M small molecule compound

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

Catalog ID
STK405205
SMILES CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C2)c1ccccc1Cl

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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 C21H24ClNO3 MW 373.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClNO3/c1-3-4-7-10-26-21(25)20-13(2)19-17(23-20)11-14(12-18(19)24)15-8-5-6-9-16(15)22/h5-6,8-9,14,23H,3-4,7,10-12H2,1-2H3
InChIKey
JKHVIHXYNHNPMM-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)c1(nH)c2c(c1C)C(=O)CC(C2)c1ccccc1Cl
CCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C
InChI=1SC21H24ClNO3c1347102621(25)2013(2)1917(2320)1114(1218(19)24)15856916(15)22h56891423H3471012H212H3
MFCD06651909
pentyl6(2chlorophenyl)3methyl4oxo1567tetrahydroindole2carboxylate
pentyl6(2chlorophenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
PENTYL6(2CHLOROPHENYL)3METHYL4OXO567TRIHYDROINDOLE2CARBOXYLATE
ZINC000004910663
ZINC000004910668

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Available files

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