Vitas-M small molecule compound

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

Catalog ID
STK550165
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(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 C26H31ClN4O5 MW 515.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN4O5/c1-4-36-26(33)25-24(19-15-21(34-2)22(35-3)16-20(19)28-25)29-23(32)8-9-30-10-12-31(13-11-30)18-7-5-6-17(27)14-18/h5-7,14-16,28H,4,8-13H2,1-3H3,(H,29,32)
InChIKey
XDNRFRSLCLWCBS-UHFFFAOYSA-N
Synonyms
836650-80-7
836650807
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(c(c2)OC)OC
CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Cl
ethyl3((3(4(3chlorophenyl)piperazin1yl)propanoyl)amino)56dimethoxy1Hindole2carboxylate
ethyl3(3(4(3chlorophenyl)piperazin1yl)propanamido)56dimethoxy1Hindole2carboxylate
ETHYL3(3(4(3CHLOROPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)56DIMETHOXY1HINDOLE2CARBOXYLATE
InChI=1SC26H31ClN4O5c143626(33)2524(191521(342)22(353)1620(19)2825)2923(32)8930101231(131130)1875617(27)1418h57141628H4813H213H3(H2932)
MFCD03692178
ZINC000008739356
ZINC8739356

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Available files

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