Vitas-M small molecule compound
3,9-dibenzyl-12-(2-chlorophenyl)-6-thioxo-3,4,9,10-tetrahydro-2H-7,11-methano[1,3,5]triazino[1,2-a][1,5]diazocine-7,11(6H,8H)-dicarbonitrile
Catalog ID
STK827061
SMILES N#CC12CN(Cc3ccccc3)CC(C2c2ccccc2Cl)(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 C31H27ClN6S MW 551.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN6S/c32-26-14-8-7-13-25(26)27-30(17-33)19-36(15-23-9-3-1-4-10-23)20-31(27,18-34)29(39)38-22-37(21-35-28(30)38)16-24-11-5-2-6-12-24/h1-14,27H,15-16,19-22H2InChIKey
ZCHITXVMTPGRNU-UHFFFAOYSA-NSynonyms
39dibenzyl12(2chlorophenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
C1C2(C(C(CN1CC3=CC=CC=C3)(C(=S)N4C2=NCN(C4)CC5=CC=CC=C5)C#N)C6=CC=CC=C6Cl)C#N
InChI=1SC31H27ClN6Sc322614871325(26)2730(1733)1936(152393141023)2031(271834)29(39)382237(213528(30)38)1624115261224h11427H15161922H2
MFCD10087176
ZINC000226624112
ZINC000230076173
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