Vitas-M small molecule compound
3,9-bis(4-bromophenyl)-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
STK827070
SMILES N#CC12CN(CC(C2c2ccccc2Cl)(C2=NCN(CN2C1=S)c1ccc(cc1)Br)C#N)c1ccc(cc1)Br
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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 C29H21Br2ClN6S MW 680.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Br2ClN6S/c30-19-5-9-21(10-6-19)36-15-28(13-33)25(23-3-1-2-4-24(23)32)29(14-34,16-36)27(39)38-18-37(17-35-26(28)38)22-11-7-20(31)8-12-22/h1-12,25H,15-18H2InChIKey
GHJHPWVBHGROSQ-UHFFFAOYSA-NSynonyms
39bis(4bromophenyl)12(2chlorophenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
C1C2(C(C(CN1C3=CC=C(C=C3)Br)(C(=S)N4C2=NCN(C4)C5=CC=C(C=C5)Br)C#N)C6=CC=CC=C6Cl)C#N
InChI=1SC29H21Br2ClN6Sc30195921(10619)361528(1333)25(23312424(23)32)29(14341636)27(39)381837(173526(28)38)2211720(31)81222h11225H1518H2
MFCD10087197
ZINC000150386596
ZINC000150386597
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