Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-2-{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetamide
Catalog ID
STL226047
SMILES N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1ccc(cc1)F)C(=O)NCc1ccc2c(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 C29H25FN6O3 MW 524.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN6O3/c30-20-6-8-21(9-7-20)35-11-13-36(14-12-35)28-27(33-23-3-1-2-4-24(23)34-28)22(16-31)29(37)32-17-19-5-10-25-26(15-19)39-18-38-25/h1-10,15,22H,11-14,17-18H2,(H,32,37)InChIKey
KGBVWIBSJREALX-UHFFFAOYSA-NSynonyms
C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCC5=CC6=C(C=C5)OCO6
InChI=1SC29H25FN6O3c30206821(9720)35111336(141235)2827(3323312424(23)3428)22(1631)29(37)3217195102526(1519)39183825h1101522H11141718H2(H3237)
MFCD02998076
N(13benzodioxol5ylmethyl)2cyano2(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)acetamide
N(benzo(d)(13)dioxol5ylmethyl)2cyano2(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)acetamide
ZINC000006150906
ZINC000006150909
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