Vitas-M small molecule compound

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

Catalog ID
STK551331
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1C)C)cc(cc2)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 C27H34N4O4 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O4/c1-5-35-27(33)26-25(21-17-20(34-4)9-10-22(21)28-26)29-24(32)11-12-30-13-15-31(16-14-30)23-8-6-7-18(2)19(23)3/h6-10,17,28H,5,11-16H2,1-4H3,(H,29,32)
InChIKey
PLSXJBKFJYHEJW-UHFFFAOYSA-N
Synonyms
799826-49-6
799826496
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1C)C)cc(cc2)OC
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCN(CC3)C4=CC=CC(=C4C)C
ethyl3((3(4(23dimethylphenyl)piperazin1yl)propanoyl)amino)5methoxy1Hindole2carboxylate
ethyl3(3(4(23dimethylphenyl)piperazin1yl)propanamido)5methoxy1Hindole2carboxylate
ETHYL3(3(4(23DIMETHYLPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)5METHOXY1HINDOLE2CARBOXYLATE
InChI=1SC27H34N4O4c153527(33)2625(211720(344)91022(21)2826)2924(32)111230131531(161430)2386718(2)19(23)3h6101728H51116H214H3(H2932)
MFCD03683383
ZINC000009432088
ZINC9432088

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Available files

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