Vitas-M small molecule compound
2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-N-benzyl-2-cyanoacetamide
Catalog ID
STL329580
SMILES N#CC(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1
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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 C30H28N6O3 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N6O3/c31-17-23(30(37)32-18-21-6-2-1-3-7-21)28-29(34-25-9-5-4-8-24(25)33-28)36-14-12-35(13-15-36)19-22-10-11-26-27(16-22)39-20-38-26/h1-11,16,23H,12-15,18-20H2,(H,32,37)InChIKey
OIKIQVPBIVSVPI-UHFFFAOYSA-NSynonyms
2(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)Nbenzyl2cyanoacetamide
2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)Nbenzyl2cyanoacetamide
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4C(C#N)C(=O)NCC6=CC=CC=C6
InChI=1SC30H28N6O3c311723(30(37)3218216213721)2829(3425954824(25)3328)36141235(131536)192210112627(1622)39203826h1111623H12151820H2(H3237)
MFCD02985480
ZINC000061859378
ZINC000061859380
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