Vitas-M small molecule compound

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

Catalog ID
STK529205
SMILES COc1cccc(c1)N1CCN(CC1C)CC(=O)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OC

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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 C24H27ClN4O4 MW 470.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4O4/c1-15-13-28(9-10-29(15)17-5-4-6-18(12-17)32-2)14-21(30)27-22-19-11-16(25)7-8-20(19)26-23(22)24(31)33-3/h4-8,11-12,15,26H,9-10,13-14H2,1-3H3,(H,27,30)
InChIKey
XIFRYTSNNPDFRG-UHFFFAOYSA-N
Synonyms

CC1CN(CCN1C2=CC(=CC=C2)OC)CC(=O)NC3=C(NC4=C3C=C(C=C4)Cl)C(=O)OC
COc1cccc(c1)N1CCN(CC1C)CC(=O)Nc1c((nH)c2c1cc(Cl)cc2)C(=O)OC
InChI=1SC24H27ClN4O4c1151328(91029(15)1754618(1217)322)1421(30)2722191116(25)7820(19)2623(22)24(31)333h4811121526H9101314H213H3(H2730)
methyl5chloro3(((4(3methoxyphenyl)3methylpiperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL5CHLORO3((2(4(3METHOXYPHENYL)3METHYLPIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl5chloro3(2(4(3methoxyphenyl)3methylpiperazin1yl)acetamido)1Hindole2carboxylate
MFCD02236417
ZINC000057050820
ZINC000057050821

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Available files

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