Vitas-M small molecule compound

methyl 4-{3a-hydroxy-9-oxo-3,4-bis[(phenylcarbonyl)amino]octahydro-4,7-methanothieno[2,3-d]thiepin-8-yl}butanoate

Catalog ID
STK746612
SMILES COC(=O)CCCC1C2SCC(C2=O)(C2(C1SCC2NC(=O)c1ccccc1)O)NC(=O)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 C28H30N2O6S2 MW 554.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6S2/c1-36-21(31)14-8-13-19-22-23(32)27(16-38-22,30-26(34)18-11-6-3-7-12-18)28(35)20(15-37-24(19)28)29-25(33)17-9-4-2-5-10-17/h2-7,9-12,19-20,22,24,35H,8,13-16H2,1H3,(H,29,33)(H,30,34)
InChIKey
KRLFWXIDUTYSLM-UHFFFAOYSA-N
Synonyms
62578-76-1
62578761
COC(=O)CCCC1C2C(=O)C(CS2)(C3(C1SCC3NC(=O)C4=CC=CC=C4)O)NC(=O)C5=CC=CC=C5
InChI=1SC28H30N2O6S2c13621(31)14813192223(32)27(1638223026(34)18116371218)28(35)20(153724(19)28)2925(33)1794251017h279121920222435H81316H21H3(H2933)(H3034)
METHYL4((3S3AS4R7R8S8AS)34BIS(BENZOYLAMINO)3AHYDROXY9OXOOCTAHYDRO47METHANOTHIENO(23D)THIEPIN8YL)BUTANOATE
METHYL4(34BIS(BENZAMIDO)3AHYDROXY9OXOOCTAHYDRO47METHANOTHIENO(23D)THIEPIN8YL)BUTANOATE
methyl4(3ahydroxy9oxo34bis((phenylcarbonyl)amino)octahydro47methanothieno(23d)thiepin8yl)butanoate
MFCD00473025
ZINC000242547673
ZINC000242547676

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Available files

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