Vitas-M small molecule compound
3,9-dibenzyl-12-(2-methylphenyl)-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
STK827068
SMILES N#CC12CN(Cc3ccccc3)CC(C2c2ccccc2C)(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 C32H30N6S MW 530.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N6S/c1-24-10-8-9-15-27(24)28-31(18-33)20-36(16-25-11-4-2-5-12-25)21-32(28,19-34)30(39)38-23-37(22-35-29(31)38)17-26-13-6-3-7-14-26/h2-15,28H,16-17,20-23H2,1H3InChIKey
KRKRQSMAFXYESV-UHFFFAOYSA-NSynonyms
39dibenzyl12(2methylphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
CC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)CC5=CC=CC=C5)C#N)CC6=CC=CC=C6)C#N
InChI=1SC32H30N6Sc12410891527(24)2831(1833)2036(1625114251225)2132(281934)30(39)382337(223529(31)38)1726136371426h21528H16172023H21H3
MFCD10087191
ZINC000226624247
ZINC000226624255
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