Vitas-M small molecule compound

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

Catalog ID
STK535726
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)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 C24H28N4O3 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3/c1-16-7-6-8-18(13-16)28-12-11-27(14-17(28)2)15-21(29)26-22-19-9-4-5-10-20(19)25-23(22)24(30)31-3/h4-10,13,17,25H,11-12,14-15H2,1-3H3,(H,26,29)
InChIKey
PCQFRRDDNLOOAU-UHFFFAOYSA-N
Synonyms

CC1CN(CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=CC=CC=C43)C(=O)OC
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)cccc2
InChI=1SC24H28N4O3c11676818(1316)28121127(1417(28)2)1521(29)2622199451020(19)2523(22)24(30)313h410131725H11121415H213H3(H2629)
methyl3(((3methyl4(3methylphenyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL3((2(3METHYL4(3METHYLPHENYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl3(2(3methyl4(mtolyl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD02995488
ZINC000002303708
ZINC000057054143

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Available files

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