Vitas-M small molecule compound
3',9'-bis(3,4-dimethylphenyl)-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
STK827054
SMILES N#CC12CN(CC(C32CCCCC3)(C2=NCN(CN2C1=S)c1ccc(c(c1)C)C)C#N)c1ccc(c(c1)C)C
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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 C32H36N6S MW 536.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N6S/c1-22-8-10-26(14-24(22)3)36-18-30(16-33)28-35-20-37(27-11-9-23(2)25(4)15-27)21-38(28)29(39)31(17-34,19-36)32(30)12-6-5-7-13-32/h8-11,14-15H,5-7,12-13,18-21H2,1-4H3InChIKey
PNSPNNXOYHFMEZ-UHFFFAOYSA-NSynonyms
39bis(34dimethylphenyl)6thioxo34910tetrahydro2Hspiro(cyclohexane112(1359)tetraaza(711)methano(135)triazino(12a)(15)diazocine)711(6H8H)dicarbonitrile
CC1=C(C=C(C=C1)N2CC3(C4=NCN(CN4C(=S)C(C2)(C35CCCCC5)C#N)C6=CC(=C(C=C6)C)C)C#N)C
InChI=1SC32H36N6Sc12281026(1424(22)3)361830(1633)28352037(2711923(2)25(4)1527)2138(28)29(39)31(17341936)32(30)126571332h8111415H5712131821H214H3
MFCD10087162
ZINC000102809205
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