Vitas-M small molecule compound
methyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-bromo-1H-indole-2-carboxylate
Catalog ID
STK538526
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)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 C25H27BrN4O5 MW 543.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN4O5/c1-15(24(31)28-22-18-12-17(26)4-5-19(18)27-23(22)25(32)33-2)30-9-7-29(8-10-30)13-16-3-6-20-21(11-16)35-14-34-20/h3-6,11-12,15,27H,7-10,13-14H2,1-2H3,(H,28,31)InChIKey
BRDURFADODFAFQ-UHFFFAOYSA-NSynonyms
370855-89-3370855893
CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)C)cc(cc2)Br
InChI=1SC25H27BrN4O5c115(24(31)2822181217(26)4519(18)2723(22)25(32)332)309729(81030)1316362021(1116)35143420h3611121527H7101314H212H3(H2831)
methyl3((2(4(13benzodioxol5ylmethyl)piperazin1yl)propanoyl)amino)5bromo1Hindole2carboxylate
METHYL3(2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)PROPANOYLAMINO)5BROMO1HINDOLE2CARBOXYLATE
methyl3(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)propanamido)5bromo1Hindole2carboxylate
MFCD03000038
ZINC000019372479
ZINC000019372481
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.