Vitas-M small molecule compound

2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (non-preferred name)

Catalog ID
STK830830
SMILES N#Cc1c(sc2c1CCC2)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3

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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 C26H18N2O2S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N2O2S/c27-12-18-13-10-5-11-19(13)31-26(18)28-24(29)22-20-14-6-1-2-7-15(14)21(23(22)25(28)30)17-9-4-3-8-16(17)20/h1-4,6-9,20-23H,5,10-11H2
InChIKey
MYBQIZSCEVFIQK-UHFFFAOYSA-N
Synonyms

2(1214dioxo11121415tetrahydro9H910(34)epipyrroloanthracen13(10H)yl)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)56dihydro4Hcyclopenta(b)thiophene3carbonitrile(nonpreferredname)
C1CC2=C(C1)SC(=C2C#N)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC26H18N2O2Sc271218131051119(13)3126(18)2824(29)222014612715(14)21(23(22)25(28)30)17943816(17)20h14692023H51011H2
MFCD02048789
ZINC000000862713
ZINC000018256157

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Available files

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