Vitas-M small molecule compound

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

Catalog ID
STK543326
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccccc1)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 C24H27ClN4O3 MW 454.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4O3/c1-16(29-12-10-28(11-13-29)15-17-6-4-3-5-7-17)23(30)27-21-19-14-18(25)8-9-20(19)26-22(21)24(31)32-2/h3-9,14,16,26H,10-13,15H2,1-2H3,(H,27,30)
InChIKey
GGLGGDYUZMVJOR-UHFFFAOYSA-N
Synonyms
488087-36-1
488087361
CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccccc1)C)cc(cc2)Cl
InChI=1SC24H27ClN4O3c116(29121028(111329)15176435717)23(30)2721191418(25)8920(19)2622(21)24(31)322h39141626H101315H212H3(H2730)
methyl3((2(4benzylpiperazin1yl)propanoyl)amino)5chloro1Hindole2carboxylate
methyl3(2(4benzylpiperazin1yl)propanamido)5chloro1Hindole2carboxylate
METHYL3(2(4BENZYLPIPERAZIN1YL)PROPANOYLAMINO)5CHLORO1HINDOLE2CARBOXYLATE
MFCD03287712
ZINC000020064395
ZINC000020064397

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Available files

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