Vitas-M small molecule compound

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

Catalog ID
STK539316
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)Cl)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 C24H27ClN4O5 MW 486.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4O5/c1-32-19-12-17-18(13-20(19)33-2)26-23(24(31)34-3)22(17)27-21(30)14-28-7-9-29(10-8-28)16-6-4-5-15(25)11-16/h4-6,11-13,26H,7-10,14H2,1-3H3,(H,27,30)
InChIKey
KMLXVFIKIWKOJP-UHFFFAOYSA-N
Synonyms
384374-75-8
384374758
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)Cl)cc(c(c2)OC)OC
COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl)OC
InChI=1SC24H27ClN4O5c13219121718(1320(19)332)2623(24(31)343)22(17)2721(30)14287929(10828)1664515(25)1116h46111326H71014H213H3(H2730)
methyl3(((4(3chlorophenyl)piperazin1yl)acetyl)amino)56dimethoxy1Hindole2carboxylate
METHYL3((2(4(3CHLOROPHENYL)PIPERAZIN1YL)ACETYL)AMINO)56DIMETHOXY1HINDOLE2CARBOXYLATE
methyl3(2(4(3chlorophenyl)piperazin1yl)acetamido)56dimethoxy1Hindole2carboxylate
MFCD03284973
ZINC000035999974
ZINC35999974

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Available files

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