Vitas-M small molecule compound

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

Catalog ID
STK537862
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C(=O)c1ccco1)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 C21H21ClN4O5 MW 444.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O5/c1-30-21(29)19-18(14-11-13(22)4-5-15(14)23-19)24-17(27)12-25-6-8-26(9-7-25)20(28)16-3-2-10-31-16/h2-5,10-11,23H,6-9,12H2,1H3,(H,24,27)
InChIKey
SIHQZCAQIUZGNY-UHFFFAOYSA-N
Synonyms

COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)C(=O)c1ccco1)cc(cc2)Cl
COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4
InChI=1SC21H21ClN4O5c13021(29)1918(141113(22)4515(14)2319)2417(27)12256826(9725)20(28)1632103116h25101123H6912H21H3(H2427)
methyl5chloro3(((4(furan2ylcarbonyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL5CHLORO3((2(4(FURAN2CARBONYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl5chloro3(2(4(furan2carbonyl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD02997105
ZINC000035999871
ZINC35999871

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Available files

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