Vitas-M small molecule compound
methyl 5-bromo-3-[({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}acetyl)amino]-1H-indole-2-carboxylate
Catalog ID
STK530994
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)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 C25H27BrN4O3 MW 511.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN4O3/c1-33-25(32)24-23(20-16-19(26)9-10-21(20)27-24)28-22(31)17-30-14-12-29(13-15-30)11-5-8-18-6-3-2-4-7-18/h2-10,16,27H,11-15,17H2,1H3,(H,28,31)/b8-5+InChIKey
NMWTWQUCBUBADN-VMPITWQZSA-NSynonyms
(E)methyl5bromo3(2(4cinnamylpiperazin1yl)acetamido)1Hindole2carboxylate
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)cc(cc2)Br
COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)CC=CC4=CC=CC=C4
InChI=1SC25H27BrN4O3c13325(32)2423(201619(26)91021(20)2724)2822(31)1730141229(131530)1158186324718h2101627H111517H21H3(H2831)b85+
methyl5bromo3(((4((2E)3phenylprop2en1yl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL5BROMO3((2(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
MFCD02241449
ZINC000022918545
ZINC22918545
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