Vitas-M small molecule compound

3,9-dibenzyl-12-(2-ethoxyphenyl)-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
STK886608
SMILES CCOc1ccccc1C1C2(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 C33H32N6OS MW 560.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N6OS/c1-2-40-28-16-10-9-15-27(28)29-32(19-34)21-37(17-25-11-5-3-6-12-25)22-33(29,20-35)31(41)39-24-38(23-36-30(32)39)18-26-13-7-4-8-14-26/h3-16,29H,2,17-18,21-24H2,1H3
InChIKey
CTEZRJSDSXGNKK-UHFFFAOYSA-N
Synonyms

39dibenzyl12(2ethoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
CCOC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)CC5=CC=CC=C5)C#N)CC6=CC=CC=C6)C#N
InChI=1SC33H32N6OSc124028161091527(28)2932(1934)2137(1725115361225)2233(292035)31(41)392438(233630(32)39)1826137481426h31629H217182124H21H3
MFCD10087192
ZINC000103519093
ZINC000103519096

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Available files

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