Vitas-M small molecule compound
2-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK885958
SMILES N#CC1=C(SCC(=O)N2CCN(CC2)Cc2ccccc2)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2
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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 C30H32N4O2S MW 512.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O2S/c1-21-10-12-23(13-11-21)28-24(18-31)30(32-25-8-5-9-26(35)29(25)28)37-20-27(36)34-16-14-33(15-17-34)19-22-6-3-2-4-7-22/h2-4,6-7,10-13,28,32H,5,8-9,14-17,19-20H2,1H3InChIKey
IIQCJLBOZBKGAZ-UHFFFAOYSA-NSynonyms
840479-60-92((2(4benzylpiperazin1yl)2oxoethyl)sulfanyl)4(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2((2(4benzylpiperazin1yl)2oxoethyl)thio)5oxo4(ptolyl)145678hexahydroquinoline3carbonitrile
2(2(4benzylpiperazin1yl)2oxoethyl)sulfanyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
840479609
CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N4CCN(CC4)CC5=CC=CC=C5)C#N
InChI=1SC30H32N4O2Sc121101223(131121)2824(1831)30(322585926(35)29(25)28)372027(36)34161433(151734)19226324722h246710132832H58914171920H21H3
MFCD03654387
ZINC000095950907
ZINC000095950908
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