Vitas-M small molecule compound

3',9'-bis(4-chlorophenyl)-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
STK886597
SMILES N#CC12CN(CC(C32CCCCC3)(C2=NCN(CN2C1=S)c1ccc(cc1)Cl)C#N)c1ccc(cc1)Cl

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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 C28H26Cl2N6S MW 549.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl2N6S/c29-20-4-8-22(9-5-20)34-16-26(14-31)24-33-18-35(23-10-6-21(30)7-11-23)19-36(24)25(37)27(15-32,17-34)28(26)12-2-1-3-13-28/h4-11H,1-3,12-13,16-19H2
InChIKey
VUJBGKTVMNWIDH-UHFFFAOYSA-N
Synonyms

39bis(4chlorophenyl)6thioxo34910tetrahydro2Hspiro(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=C(C=C5)Cl)C#N)C6=CC=C(C=C6)Cl)C#N
InChI=1SC28H26Cl2N6Sc29204822(9520)341626(1431)24331835(2310621(30)71123)1936(24)25(37)27(15321734)28(26)122131328h411H1312131619H2
MFCD10087172
ZINC000102809436

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Available files

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