Vitas-M small molecule compound
3',9'-bis(4-methylphenyl)-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
STK886613
SMILES N#CC12CN(CC(C32CCCCC3)(C2=NCN(CN2C1=S)c1ccc(cc1)C)C#N)c1ccc(cc1)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 C30H32N6S MW 508.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N6S/c1-22-6-10-24(11-7-22)34-18-28(16-31)26-33-20-35(25-12-8-23(2)9-13-25)21-36(26)27(37)29(17-32,19-34)30(28)14-4-3-5-15-30/h6-13H,3-5,14-15,18-21H2,1-2H3InChIKey
CJROZPJDPBSHRN-UHFFFAOYSA-NSynonyms
39bis(4methylphenyl)6thioxo34910tetrahydro2Hspiro(cyclohexane112(1359)tetraaza(711)methano(135)triazino(12a)(15)diazocine)711(6H8H)dicarbonitrile
CC1=CC=C(C=C1)N2CC3(C4=NCN(CN4C(=S)C(C2)(C35CCCCC5)C#N)C6=CC=C(C=C6)C)C#N
InChI=1SC30H32N6Sc12261024(11722)341828(1631)26332035(2512823(2)91325)2136(26)27(37)29(17321934)30(28)144351530h613H3514151821H212H3
MFCD10087201
ZINC000102915183
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