Vitas-M small molecule compound

12-(2-methoxyphenyl)-3,9-bis(2-phenylethyl)-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
STK886607
SMILES COc1ccccc1C1C2(C#N)CN(CC1(C#N)C1=NCN(CN1C2=S)CCc1ccccc1)CCc1ccccc1

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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 C34H34N6OS MW 574.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N6OS/c1-41-29-15-9-8-14-28(29)30-33(20-35)22-38(18-16-26-10-4-2-5-11-26)23-34(30,21-36)32(42)40-25-39(24-37-31(33)40)19-17-27-12-6-3-7-13-27/h2-15,30H,16-19,22-25H2,1H3
InChIKey
SQHTUMNMNFORBC-UHFFFAOYSA-N
Synonyms

12(2methoxyphenyl)39bis(2phenylethyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)CCC5=CC=CC=C5)C#N)CCC6=CC=CC=C6)C#N
InChI=1SC34H34N6OSc1412915981428(29)3033(2035)2238(181626104251126)2334(302136)32(42)402539(243731(33)40)191727126371327h21530H16192225H21H3
MFCD10087190
ZINC000103519084
ZINC000103519087

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Available files

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