Vitas-M small molecule compound
{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile
Catalog ID
STK548376
SMILES N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(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 C29H27N5O4S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4S/c1-20-6-9-22(10-7-20)39(35,36)27(17-30)28-29(32-24-5-3-2-4-23(24)31-28)34-14-12-33(13-15-34)18-21-8-11-25-26(16-21)38-19-37-25/h2-11,16,27H,12-15,18-19H2,1H3InChIKey
STOQYKGUGBUGMU-UHFFFAOYSA-NSynonyms
797771-50-7(2R)(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)QUINOXALIN2YL)((4METHYLPHENYL)SULFONYL)ETHANENITRILE
(3(4(13benzodioxol5ylmethyl)piperazin1yl)quinoxalin2yl)((4methylphenyl)sulfonyl)acetonitrile
2(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)QUINOXALIN2YL)2(4METHYLPHENYL)SULFONYLACETONITRILE
2(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)quinoxalin2yl)2tosylacetonitrile
797771507
CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC29H27N5O4Sc1206922(10720)39(3536)27(1730)2829(3224532423(24)3128)34141233(131534)18218112526(1621)38193725h2111627H12151819H21H3
MFCD03665848
ZINC000097951783
ZINC000097951784
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