Vitas-M small molecule compound

hexyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate

Catalog ID
STL232120
SMILES CCCCCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)Cl)C#N

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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 C27H30ClN5O2 MW 492.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClN5O2/c1-2-3-4-7-17-35-27(34)22(19-29)25-26(31-24-12-6-5-11-23(24)30-25)33-15-13-32(14-16-33)21-10-8-9-20(28)18-21/h5-6,8-12,18,22H,2-4,7,13-17H2,1H3
InChIKey
MDDFIVJAURGONU-UHFFFAOYSA-N
Synonyms
843619-66-9
843619669
CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl
hexyl(3(4(3chlorophenyl)piperazin1yl)quinoxalin2yl)(cyano)acetate
HEXYL2(3(4(3CHLOROPHENYL)PIPERAZIN1YL)QUINOXALIN2YL)2CYANOACETATE
InChI=1SC27H30ClN5O2c12347173527(34)22(1929)2526(312412651123(24)3025)33151332(141633)21108920(28)1821h568121822H2471317H21H3
MFCD04013603
ZINC000009471593
ZINC000009471594

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Available files

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