Vitas-M small molecule compound
3,9-dicyclohexyl-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
STK886605
SMILES COc1ccccc1C1C2(C#N)CN(CC1(C#N)C1=NCN(CN1C2=S)C1CCCCC1)C1CCCCC1
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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 C30H38N6OS MW 530.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N6OS/c1-37-25-15-9-8-14-24(25)26-29(16-31)18-34(22-10-4-2-5-11-22)19-30(26,17-32)28(38)36-21-35(20-33-27(29)36)23-12-6-3-7-13-23/h8-9,14-15,22-23,26H,2-7,10-13,18-21H2,1H3InChIKey
JHZHYQBHGHKHGK-UHFFFAOYSA-NSynonyms
39dicyclohexyl12(2methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)C5CCCCC5)C#N)C6CCCCC6)C#N
InChI=1SC30H38N6OSc1372515981424(25)2629(1631)1834(22104251122)1930(261732)28(38)362135(203327(29)36)23126371323h891415222326H2710131821H21H3
MFCD10087188
ZINC000103519073
ZINC000103519076
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