Vitas-M small molecule compound
2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-2-{3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}acetamide
Catalog ID
STL406964
SMILES CCOc1cc(CCNC(=O)C(c2nc3ccccc3nc2N2CCN(CC2)C(c2ccccc2)c2ccccc2)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 C40H42N6O3 MW 654.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H42N6O3/c1-3-48-35-20-19-29(27-36(35)49-4-2)21-22-42-40(47)32(28-41)37-39(44-34-18-12-11-17-33(34)43-37)46-25-23-45(24-26-46)38(30-13-7-5-8-14-30)31-15-9-6-10-16-31/h5-20,27,32,38H,3-4,21-26H2,1-2H3,(H,42,47)InChIKey
BYLPBGJSTLSQPW-UHFFFAOYSA-NSynonyms
2(3(4BENZHYDRYLPIPERAZIN1YL)QUINOXALIN2YL)2CYANON(2(34DIETHOXYPHENYL)ETHYL)ACETAMIDE
2(3(4benzhydrylpiperazin1yl)quinoxalin2yl)2cyanoN(34diethoxyphenethyl)acetamide
2cyanoN(2(34diethoxyphenyl)ethyl)2(3(4(diphenylmethyl)piperazin1yl)quinoxalin2yl)acetamide
CCOC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)OCC
InChI=1SC40H42N6O3c134835201929(2736(35)4942)21224240(47)32(2841)3739(44341812111733(34)4337)46252345(242646)38(30137581430)311596101631h520273238H342126H212H3(H4247)
MFCD03691814
ZINC000097999707
ZINC000097999708
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