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)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (non-preferred name)
Catalog ID
STK386518
SMILES N#Cc1c(sc2c1CCCC2)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 C27H20N2O2S MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O2S/c28-13-19-14-7-5-6-12-20(14)32-27(19)29-25(30)23-21-15-8-1-2-9-16(15)22(24(23)26(29)31)18-11-4-3-10-17(18)21/h1-4,8-11,21-24H,5-7,12H2InChIKey
UAGGBEBMAOOQGE-UHFFFAOYSA-NSynonyms
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)4567tetrahydro1benzothiophene3carbonitrile(nonpreferredname)
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57)C#N
InChI=1SC27H20N2O2Sc281319147561220(14)3227(19)2925(30)232115812916(15)22(24(23)26(29)31)1811431017(18)21h148112124H5712H2
MFCD01992502
ZINC000000862717
ZINC000018272142
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