Vitas-M small molecule compound
methyl 5-bromo-3-({[4-(diphenylmethyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Catalog ID
STK528462
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)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 C29H29BrN4O3 MW 561.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN4O3/c1-37-29(36)27-26(23-18-22(30)12-13-24(23)31-27)32-25(35)19-33-14-16-34(17-15-33)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,28,31H,14-17,19H2,1H3,(H,32,35)InChIKey
UUFWBOKRWUJEEU-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)cc(cc2)Br
COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC29H29BrN4O3c13729(36)2726(231822(30)121324(23)3127)3225(35)1933141634(171533)28(208425920)21106371121h213182831H141719H21H3(H3235)
METHYL3((2(4BENZHYDRYLPIPERAZIN1YL)ACETYL)AMINO)5BROMO1HINDOLE2CARBOXYLATE
methyl3(2(4benzhydrylpiperazin1yl)acetamido)5bromo1Hindole2carboxylate
methyl5bromo3(((4(diphenylmethyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
MFCD01563927
ZINC000102188260
ZINC102188260
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