Vitas-M small molecule compound
3',9'-diphenyl-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
STK886592
SMILES N#CC12CN(CC(C32CCCCC3)(C2=NCN(CN2C1=S)c1ccccc1)C#N)c1ccccc1
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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 C28H28N6S MW 480.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6S/c29-16-26-18-32(22-10-4-1-5-11-22)19-27(17-30,28(26)14-8-3-9-15-28)25(35)34-21-33(20-31-24(26)34)23-12-6-2-7-13-23/h1-2,4-7,10-13H,3,8-9,14-15,18-21H2InChIKey
OQYMDCAIRQPAHR-UHFFFAOYSA-NSynonyms
39diphenyl6thioxo34910tetrahydro2Hspiro(cyclohexane112(1359)tetraaza(711)methano(135)triazino(12a)(15)diazocine)711(6H8H)dicarbonitrile
C1CCC2(CC1)C3(CN(CC2(C(=S)N4C3=NCN(C4)C5=CC=CC=C5)C#N)C6=CC=CC=C6)C#N
InChI=1SC28H28N6Sc2916261832(22104151122)1927(173028(26)148391528)25(35)342133(203124(26)34)23126271323h12471013H38914151821H2
MFCD10087163
ZINC000020348091
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