Vitas-M small molecule compound

4-(1H-indol-3-ylcarbonyl)-N-{(2S)-1-[(4-methoxyphenyl)amino]-1-oxopropan-2-yl}piperazine-1-carboxamide

Catalog ID
STK617952
SMILES COc1ccc(cc1)NC(=O)[C@@H](NC(=O)N1CCN(CC1)C(=O)c1c[nH]c2c1cccc2)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 C24H27N5O4 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4/c1-16(22(30)27-17-7-9-18(33-2)10-8-17)26-24(32)29-13-11-28(12-14-29)23(31)20-15-25-21-6-4-3-5-19(20)21/h3-10,15-16,25H,11-14H2,1-2H3,(H,26,32)(H,27,30)/t16-/m0/s1
InChIKey
HSKKIFLGHWMHMC-INIZCTEOSA-N
Synonyms
956982-96-0
(S)4(1Hindole3carbonyl)N(1((4methoxyphenyl)amino)1oxopropan2yl)piperazine1carboxamide
4(1Hindol3ylcarbonyl)N((2S)1((4methoxyphenyl)amino)1oxopropan2yl)piperazine1carboxamide
4(1Hindole3carbonyl)N((2S)1(4methoxyanilino)1oxopropan2yl)piperazine1carboxamide
956982960
CC(C(=O)NC1=CC=C(C=C1)OC)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43
COc1ccc(cc1)NC(=O)(C@@H)(NC(=O)N1CCN(CC1)C(=O)c1c(nH)c2c1cccc2)C
InChI=1SC24H27N5O4c116(22(30)27177918(332)10817)2624(32)29131128(121429)23(31)20152521643519(20)21h310151625H1114H212H3(H2632)(H2730)t16m0s1
MFCD09789075
ZINC000009483002
ZINC09483002
ZINC9483002

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Available files

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