Vitas-M small molecule compound

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

Catalog ID
STL348263
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)cccc2

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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 C22H22Cl2N4O3 MW 461.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N4O3/c1-31-22(30)21-20(15-4-2-3-5-18(15)25-21)26-19(29)13-27-8-10-28(11-9-27)14-6-7-16(23)17(24)12-14/h2-7,12,25H,8-11,13H2,1H3,(H,26,29)
InChIKey
CPBIIWOFEZGPSR-UHFFFAOYSA-N
Synonyms
862105-63-3
862105633
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC22H22Cl2N4O3c13122(30)2120(15423518(15)2521)2619(29)132781028(11927)146716(23)17(24)1214h271225H81113H21H3(H2629)
methyl3(((4(34dichlorophenyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL3((2(4(34DICHLOROPHENYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl3(2(4(34dichlorophenyl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD05686782
ZINC000035844100
ZINC35844100

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Available files

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