Vitas-M small molecule compound

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

Catalog ID
STK054198
SMILES COC(=O)c1[nH]c2c(c1C)C(=O)CC(C2)c1ccc(cc1)Cl

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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 C17H16ClNO3 MW 317.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClNO3/c1-9-15-13(19-16(9)17(21)22-2)7-11(8-14(15)20)10-3-5-12(18)6-4-10/h3-6,11,19H,7-8H2,1-2H3
InChIKey
ICHDROYLVQEKHY-UHFFFAOYSA-N
Synonyms

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)C(=O)OC
COC(=O)c1(nH)c2c(c1C)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC17H16ClNO3c191513(1916(9)17(21)222)711(814(15)20)103512(18)6410h361119H78H212H3
methyl6(4chlorophenyl)3methyl4oxo1567tetrahydroindole2carboxylate
methyl6(4chlorophenyl)3methyl4oxo4567tetrahydro1Hindole2carboxylate
MFCD03632673
STK054198
ZINC000000107737
ZINC000000107741
ZINC00107737
ZINC00107741

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Available files

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