Vitas-M small molecule compound

methyl 3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate

Catalog ID
STK540673
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)cc(c(c2)OC)OC

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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 C25H30N4O5 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O5/c1-32-20-13-18-19(14-21(20)33-2)26-24(25(31)34-3)23(18)27-22(30)16-29-11-9-28(10-12-29)15-17-7-5-4-6-8-17/h4-8,13-14,26H,9-12,15-16H2,1-3H3,(H,27,30)
InChIKey
PCYLFDNHKJCFTM-UHFFFAOYSA-N
Synonyms
385390-99-8
3((2(4BENZYLPIPERAZINO)ACETYL)AMINO)56DIMETHOXY1HINDOLE2CARBOXYLICACIDMETHYLESTER
385390998
56DIMETHOXY3((1OXO2(4(PHENYLMETHYL)1PIPERAZINYL)ETHYL)AMINO)1HINDOLE2CARBOXYLICACIDMETHYLESTER
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)cc(c(c2)OC)OC
COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)OC
InChI=1SC25H30N4O5c13220131819(1421(20)332)2624(25(31)343)23(18)2722(30)162911928(101229)15177546817h48131426H9121516H213H3(H2730)
methyl3(((4benzylpiperazin1yl)acetyl)amino)56dimethoxy1Hindole2carboxylate
METHYL3((2(4BENZYLPIPERAZIN1YL)ACETYL)AMINO)56DIMETHOXY1HINDOLE2CARBOXYLATE
methyl3(2(4benzylpiperazin1yl)acetamido)56dimethoxy1Hindole2carboxylate
METHYL56DIMETHOXY3(2(4(PHENYLMETHYL)PIPERAZIN1YL)ETHANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD03285707
ZINC000020057826
ZINC20057826

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Available files

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