Vitas-M small molecule compound

3,9-dicyclopentyl-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
STK629011
SMILES COc1ccccc1C1C2(C#N)CN(CC1(C#N)C1=NCN(CN1C2=S)C1CCCC1)C1CCCC1

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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 C28H34N6OS MW 502.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N6OS/c1-35-23-13-7-6-12-22(23)24-27(14-29)16-32(20-8-2-3-9-20)17-28(24,15-30)26(36)34-19-33(18-31-25(27)34)21-10-4-5-11-21/h6-7,12-13,20-21,24H,2-5,8-11,16-19H2,1H3
InChIKey
ZGGYDPSTKNDRMF-UHFFFAOYSA-N
Synonyms
1005099-81-9
1005099819
39dicyclopentyl12(2methoxyphenyl)6thioxo3467891011octahydro2H711methano(135)triazino(12a)(15)diazocine711dicarbonitrile
39dicyclopentyl12(2methoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
COC1=CC=CC=C1C2C3(CN(CC2(C(=S)N4C3=NCN(C4)C5CCCC5)C#N)C6CCCC6)C#N
InChI=1SC28H34N6OSc1352313761222(23)2427(1429)1632(20823920)1728(241530)26(36)341933(183125(27)34)2110451121h671213202124H258111619H21H3
MFCD09790082
ZINC000102803151
ZINC000102803154

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Available files

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