Vitas-M small molecule compound

methyl 5-bromo-3-({2-[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate

Catalog ID
STK536184
SMILES COc1cccc(c1)N1CCN(CC1C)C(C(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OC)C

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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 C25H29BrN4O4 MW 529.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29BrN4O4/c1-15-14-29(10-11-30(15)18-6-5-7-19(13-18)33-3)16(2)24(31)28-22-20-12-17(26)8-9-21(20)27-23(22)25(32)34-4/h5-9,12-13,15-16,27H,10-11,14H2,1-4H3,(H,28,31)
InChIKey
ZVFUWZVPOXFMOE-UHFFFAOYSA-N
Synonyms

CC1CN(CCN1C2=CC(=CC=C2)OC)C(C)C(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC
COc1cccc(c1)N1CCN(CC1C)C(C(=O)Nc1c((nH)c2c1cc(Br)cc2)C(=O)OC)C
InChI=1SC25H29BrN4O4c1151429(101130(15)1865719(1318)333)16(2)24(31)2822201217(26)8921(20)2723(22)25(32)344h591213151627H101114H214H3(H2831)
methyl5bromo3((2((3R)4(3methoxyphenyl)3methylpiperazin1yl)propanoyl)amino)1Hindole2carboxylate
methyl5bromo3(2((S)4(3methoxyphenyl)3methylpiperazin1yl)propanamido)1Hindole2carboxylate
METHYL5BROMO3(2(4(3METHOXYPHENYL)3METHYLPIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
ZINC000100758337
ZINC000100758345

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Available files

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