Vitas-M small molecule compound
3',9'-dibenzyl-6'-thioxo-3',4',9',10'-tetrahydro-2'H-spiro[cyclopentane-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
STK627787
SMILES N#CC12CN(Cc3ccccc3)CC(C32CCCC3)(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 C29H30N6S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N6S/c30-17-27-19-33(15-23-9-3-1-4-10-23)20-28(18-31,29(27)13-7-8-14-29)26(36)35-22-34(21-32-25(27)35)16-24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-16,19-22H2InChIKey
UFGXRWBKTHTQPU-UHFFFAOYSA-NSynonyms
921145-42-8(11R)39dibenzyl6thioxo3467891011octahydro2Hspiro(711methano(135)triazino(12a)(15)diazocine121cyclopentane)711dicarbonitrile
39dibenzyl6thioxo34910tetrahydro2Hspiro(cyclopentane112(1359)tetraaza(711)methano(135)triazino(12a)(15)diazocine)711(6H8H)dicarbonitrile
921145428
C1CCC2(C1)C3(CN(CC2(C(=S)N4C3=NCN(C4)CC5=CC=CC=C5)C#N)CC6=CC=CC=C6)C#N
InChI=1SC29H30N6Sc3017271933(152393141023)2028(183129(27)13781429)26(36)352234(213225(27)35)1624115261224h16912H7813161922H2
MFCD08750481
ZINC000019330372
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