Vitas-M small molecule compound
3',9'-dibenzyl-6'-thioxo-3',4',9',10'-tetrahydro-2'H-spiro[cyclohexane-1,12'-[1,3,5,9]tetraaza[7,11]methano[1,3,5]triazino[1,2-a][1,5]diazocine]-7',11'(6'H,8'H)-dicarbonitrile
Catalog ID
STK886596
SMILES N#CC12CN(Cc3ccccc3)CC(C32CCCCC3)(C2=NCN(CN2C1=S)Cc1ccccc1)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 C30H32N6S MW 508.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N6S/c31-18-28-20-34(16-24-10-4-1-5-11-24)21-29(19-32,30(28)14-8-3-9-15-30)27(37)36-23-35(22-33-26(28)36)17-25-12-6-2-7-13-25/h1-2,4-7,10-13H,3,8-9,14-17,20-23H2InChIKey
TXQMMQMJYYTITF-UHFFFAOYSA-NSynonyms
39dibenzyl6thioxo34910tetrahydro2Hspiro(cyclohexane112(1359)tetraaza(711)methano(135)triazino(12a)(15)diazocine)711(6H8H)dicarbonitrile
C1CCC2(CC1)C3(CN(CC2(C(=S)N4C3=NCN(C4)CC5=CC=CC=C5)C#N)CC6=CC=CC=C6)C#N
InChI=1SC30H32N6Sc3118282034(1624104151124)2129(193230(28)148391530)27(37)362335(223326(28)36)1725126271325h12471013H38914172023H2
MFCD10087170
ZINC000019331028
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