Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-[3-oxo-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)piperazin-2-yl]acetamide

Catalog ID
STK356773
SMILES O=C(CC1C(=O)NCCN1C(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)Nc1ccc2c(c1)OCO2

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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 C26H28F3N5O5 MW 547.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28F3N5O5/c27-26(28,29)17-2-1-3-19(12-17)33-10-8-32(9-11-33)15-24(36)34-7-6-30-25(37)20(34)14-23(35)31-18-4-5-21-22(13-18)39-16-38-21/h1-5,12-13,20H,6-11,14-16H2,(H,30,37)(H,31,35)
InChIKey
FYHBRGDBKLEORK-UHFFFAOYSA-N
Synonyms

C1CN(C(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
InChI=1SC26H28F3N5O5c2726(2829)1721319(1217)3310832(91133)1524(36)34763025(37)20(34)1423(35)3118452122(1318)39163821h15121320H6111416H2(H3037)(H3135)
MFCD09438423
N(13benzodioxol5yl)2(3oxo1((4(3(trifluoromethyl)phenyl)piperazin1yl)acetyl)piperazin2yl)acetamide
N(13benzodioxol5yl)2(3oxo1(2(4(3(trifluoromethyl)phenyl)piperazin1yl)acetyl)piperazin2yl)acetamide
N(2HBENZO(34D)13DIOXOLAN5YL)2(3OXO1(2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)ACETYL)PIPERAZIN2YL)ACETAMIDE
N(BENZO(D)(13)DIOXOL5YL)2(3OXO1(2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)ACETYL)PIPERAZIN2YL)ACETAMIDE
ZINC000101264788
ZINC000101264790

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Available files

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