Vitas-M small molecule compound
2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-2-{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetamide
Catalog ID
STK714385
SMILES CCOc1cc(CCNC(=O)C(c2nc3ccccc3nc2N2CCN(CC2)c2ccc(cc2)F)C#N)ccc1OCC
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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 C33H35FN6O3 MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35FN6O3/c1-3-42-29-14-9-23(21-30(29)43-4-2)15-16-36-33(41)26(22-35)31-32(38-28-8-6-5-7-27(28)37-31)40-19-17-39(18-20-40)25-12-10-24(34)11-13-25/h5-14,21,26H,3-4,15-20H2,1-2H3,(H,36,41)InChIKey
VGYNONCJQGYIOB-UHFFFAOYSA-NSynonyms
2cyanoN(2(34diethoxyphenyl)ethyl)2(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)acetamide
2cyanoN(34diethoxyphenethyl)2(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)acetamide
CCOC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F)OCC
InChI=1SC33H35FN6O3c13422914923(2130(29)4342)15163633(41)26(2235)3132(3828865727(28)3731)40191739(182040)25121024(34)111325h5142126H341520H212H3(H3641)
MFCD03691614
ZINC000006150901
ZINC000006150904
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