Vitas-M small molecule compound

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

Catalog ID
STL246466
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)c(Cl)ccc2

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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 C24H27ClN4O3 MW 454.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4O3/c1-15-6-4-7-17(12-15)29-11-10-28(13-16(29)2)14-20(30)27-22-21-18(25)8-5-9-19(21)26-23(22)24(31)32-3/h4-9,12,16,26H,10-11,13-14H2,1-3H3,(H,27,30)
InChIKey
NFKKQRXPRCWNGP-UHFFFAOYSA-N
Synonyms
849032-42-4
849032424
CC1CN(CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=C3C(=CC=C4)Cl)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)c(Cl)ccc2
InChI=1SC24H27ClN4O3c11564717(1215)29111028(1316(29)2)1420(30)27222118(25)85919(21)2623(22)24(31)323h49121626H10111314H213H3(H2730)
methyl4chloro3(((3methyl4(3methylphenyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL4CHLORO3((2(3METHYL4(3METHYLPHENYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl4chloro3(2(3methyl4(mtolyl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD05682052
ZINC000002454505
ZINC000061943429

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Available files

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