Vitas-M small molecule compound

methyl 5-chloro-3-{[(4-methylpiperidin-1-yl)acetyl]amino}-1H-indole-2-carboxylate

Catalog ID
STK528230
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)C)cc(cc2)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 C18H22ClN3O3 MW 363.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN3O3/c1-11-5-7-22(8-6-11)10-15(23)21-16-13-9-12(19)3-4-14(13)20-17(16)18(24)25-2/h3-4,9,11,20H,5-8,10H2,1-2H3,(H,21,23)
InChIKey
ATAYBXSQQUWUMD-UHFFFAOYSA-N
Synonyms

CC1CCN(CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCC(CC1)C)cc(cc2)Cl
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCC(CC1)C)cc(cc2)ClCl
InChI=1SC18H22ClN3O3c1115722(8611)1015(23)211613912(19)3414(13)2017(16)18(24)252h3491120H5810H212H3(H2123)
methyl5chloro3(((4methylpiperidin1yl)acetyl)amino)1Hindole2carboxylate
METHYL5CHLORO3((2(4METHYLPIPERIDIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl5chloro3(2(4methylpiperidin1yl)acetamido)1Hindole2carboxylatehydrochloride
MFCD02235489
ZINC000001771416
ZINC1771416

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Available files

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