Vitas-M small molecule compound
methyl 5-bromo-3-({2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Catalog ID
STK538573
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1C)C)C)cc(cc2)Br
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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 C25H29BrN4O3 MW 513.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29BrN4O3/c1-15-6-5-7-21(16(15)2)30-12-10-29(11-13-30)17(3)24(31)28-22-19-14-18(26)8-9-20(19)27-23(22)25(32)33-4/h5-9,14,17,27H,10-13H2,1-4H3,(H,28,31)InChIKey
UZEUOYXNFKLWQR-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)N2CCN(CC2)C(C)C(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC)C
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1C)C)C)cc(cc2)Br
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1C)C)C)cc(cc2)BrCl
InChI=1SC25H29BrN4O3c11565721(16(15)2)30121029(111330)17(3)24(31)2822191418(26)8920(19)2723(22)25(32)334h59141727H1013H214H3(H2831)
methyl5bromo3((2(4(23dimethylphenyl)piperazin1yl)propanoyl)amino)1Hindole2carboxylate
methyl5bromo3(2(4(23dimethylphenyl)piperazin1yl)propanamido)1Hindole2carboxylatehydrochloride
METHYL5BROMO3(2(4(23DIMETHYLPHENYL)PIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD02999873
ZINC000057058825
ZINC000057058827
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.