Vitas-M small molecule compound

methyl 5-chloro-3-{[3-(3,5-dimethylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate

Catalog ID
STK547973
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CCN1CC(C)CC(C1)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 C20H26ClN3O3 MW 391.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClN3O3/c1-12-8-13(2)11-24(10-12)7-6-17(25)23-18-15-9-14(21)4-5-16(15)22-19(18)20(26)27-3/h4-5,9,12-13,22H,6-8,10-11H2,1-3H3,(H,23,25)
InChIKey
UXOLHNJYWXVTEH-UHFFFAOYSA-N
Synonyms
797774-38-0
797774380
CC1CC(CN(C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC)C
COC(=O)c1(nH)c2c(c1NC(=O)CCN1CC(C)CC(C1)C)cc(cc2)Cl
InChI=1SC20H26ClN3O3c112813(2)1124(1012)7617(25)231815914(21)4516(15)2219(18)20(26)273h459121322H681011H213H3(H2325)
METHYL5CHLORO3((3((3R5R)35DIMETHYLPIPERIDIN1YL)PROPANOYL)AMINO)1HINDOLE2CARBOXYLATE
METHYL5CHLORO3((3((3R5S)35DIMETHYLPIPERIDIN1YL)PROPANOYL)AMINO)1HINDOLE2CARBOXYLATE
methyl5chloro3((3(35dimethylpiperidin1yl)propanoyl)amino)1Hindole2carboxylate
methyl5chloro3(3(35dimethylpiperidin1yl)propanamido)1Hindole2carboxylate
METHYL5CHLORO3(3(35DIMETHYLPIPERIDIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD03666352
ZINC000002376562
ZINC000002376566

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Available files

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