Vitas-M small molecule compound
2-{2-[2-(2,3-dihydro-1H-indol-1-ylsulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK806902
SMILES COc1cc(c(cc1OC)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)S(=O)(=O)N1CCc2c1cccc2
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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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-37-25-17-21(13-15-31-29(33)22-10-5-8-20-9-6-11-23(28(20)22)30(31)34)27(18-26(25)38-2)39(35,36)32-16-14-19-7-3-4-12-24(19)32/h3-12,17-18H,13-16H2,1-2H3InChIKey
KWSOJBJPKMHGDL-UHFFFAOYSA-NSynonyms
452089-57-52(2(2(23dihydro1Hindol1ylsulfonyl)45dimethoxyphenyl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(2(23DIHYDROINDOL1YLSULFONYL)45DIMETHOXYPHENYL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2(INDOLIN1YLSULFONYL)45DIMETHOXYPHENETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
452089575
COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCC6=CC=CC=C65)OC
InChI=1SC30H26N2O6Sc137251721(13153129(33)22105820961123(28(20)22)30(31)34)27(1826(25)382)39(3536)321614197341224(19)32h3121718H1316H212H3
MFCD03300423
ZINC000097951667
ZINC97951667
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