Vitas-M small molecule compound

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

Catalog ID
STK539198
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)C

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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 C23H25ClN4O3 MW 440.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O3/c1-15-6-7-19-18(12-15)21(22(25-19)23(30)31-2)26-20(29)14-27-8-10-28(11-9-27)17-5-3-4-16(24)13-17/h3-7,12-13,25H,8-11,14H2,1-2H3,(H,26,29)
InChIKey
YLKPSSGFSFHMFU-UHFFFAOYSA-N
Synonyms
384353-19-9
384353199
CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)C
InChI=1SC23H25ClN4O3c115671918(1215)21(22(2519)23(30)312)2620(29)142781028(11927)1753416(24)1317h37121325H81114H212H3(H2629)
methyl3(((4(3chlorophenyl)piperazin1yl)acetyl)amino)5methyl1Hindole2carboxylate
METHYL3((2(4(3CHLOROPHENYL)PIPERAZIN1YL)ACETYL)AMINO)5METHYL1HINDOLE2CARBOXYLATE
methyl3(2(4(3chlorophenyl)piperazin1yl)acetamido)5methyl1Hindole2carboxylate
MFCD03285347
ZINC000035976105
ZINC35976105

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Available files

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