Vitas-M small molecule compound
3,9-dibenzyl-12-(2-methoxyphenyl)-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
STK827062
SMILES COc1ccccc1C1C2(C#N)CN(CC1(C#N)C1=NCN(CN1C2=S)Cc1ccccc1)Cc1ccccc1
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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 C32H30N6OS MW 546.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N6OS/c1-39-27-15-9-8-14-26(27)28-31(18-33)20-36(16-24-10-4-2-5-11-24)21-32(28,19-34)30(40)38-23-37(22-35-29(31)38)17-25-12-6-3-7-13-25/h2-15,28H,16-17,20-23H2,1H3InChIKey
NFNRNUSQPKPDLJ-UHFFFAOYSA-NSynonyms
39dibenzyl12(2methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)CC5=CC=CC=C5)C#N)CC6=CC=CC=C6)C#N
InChI=1SC32H30N6OSc1392715981426(27)2831(1833)2036(1624104251124)2132(281934)30(40)382337(223529(31)38)1725126371325h21528H16172023H21H3
MFCD10087177
ZINC000103519027
ZINC000103519031
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