Vitas-M small molecule compound

17-[4-(methylsulfanyl)-1-oxo-1-(piperidin-1-yl)butan-2-yl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)

Catalog ID
STK387154
SMILES CSCCC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)N1CCCCC1

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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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-34-16-13-21(26(31)29-14-7-2-8-15-29)30-27(32)24-22-17-9-3-4-10-18(17)23(25(24)28(30)33)20-12-6-5-11-19(20)22/h3-6,9-12,21-25H,2,7-8,13-16H2,1H3
InChIKey
NGEXPXBTNLOQIS-UHFFFAOYSA-N
Synonyms

17(4(methylsulfanyl)1oxo1(piperidin1yl)butan2yl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CSCCC(C(=O)N1CCCCC1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC28H30N2O3Sc134161321(26(31)29147281529)3027(32)2422179341018(17)23(25(24)28(30)33)2012651119(20)22h369122125H2781316H21H3
MFCD02028522
ZINC000008396932
ZINC000018129690

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Available files

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