Vitas-M small molecule compound

ethyl 3-({2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate

Catalog ID
STK538653
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cc(Cl)ccc1C)C)cc(cc2)F

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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 C25H28ClFN4O3 MW 486.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClFN4O3/c1-4-34-25(33)23-22(19-14-18(27)7-8-20(19)28-23)29-24(32)16(3)30-9-11-31(12-10-30)21-13-17(26)6-5-15(21)2/h5-8,13-14,16,28H,4,9-12H2,1-3H3,(H,29,32)
InChIKey
XFVUWZLMFQPZRT-UHFFFAOYSA-N
Synonyms
384357-88-4
384357884
CCOC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)c1cc(Cl)ccc1C)C)cc(cc2)F
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C
ethyl3((2(4(5chloro2methylphenyl)piperazin1yl)propanoyl)amino)5fluoro1Hindole2carboxylate
ethyl3(2(4(5chloro2methylphenyl)piperazin1yl)propanamido)5fluoro1Hindole2carboxylate
ETHYL3(2(4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)5FLUORO1HINDOLE2CARBOXYLATE
InChI=1SC25H28ClFN4O3c143425(33)2322(191418(27)7820(19)2823)2924(32)16(3)3091131(121030)211317(26)6515(21)2h5813141628H4912H213H3(H2932)
MFCD03000994
ZINC000057058831
ZINC000057058833

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Available files

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