Vitas-M small molecule compound
(4E)-2-(2,4-dimethylphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK598224
SMILES Cc1ccc(c(c1)C)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2
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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-14-7-8-20(15(2)11-14)24-21(25)18-6-4-3-5-17(18)19(22(24)26)12-23-16-9-10-29(27,28)13-16/h3-8,11-12,16,23H,9-10,13H2,1-2H3/b19-12+InChIKey
XKYYKOAUEIWSIN-XDHOZWIPSA-NSynonyms
(4E)2(24dimethylphenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(24dimethylphenyl)4(((11dioxothiolan3yl)amino)methylidene)isoquinoline13dione
(E)2(24dimethylphenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)isoquinoline13(2H4H)dione
2(24DIMETHYLPHENYL)4(1(11DIOXOTETRAHYDRO1LAMBDA6THIOPHEN3YLAMINO)METH(E)YLIDENE)4HISOQUINOLINE13DIONE
CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4CCS(=O)(=O)C4)C2=O)C
Cc1ccc(c(c1)C)N1C(=O)C(=CNC2CCS(=O)(=O)C2)c2c(C1=O)cccc2
InChI=1SC22H22N2O4Sc1147820(15(2)1114)2421(25)18643517(18)19(22(24)26)12231691029(2728)1316h3811121623H91013H212H3b1912+
MFCD06593518
ZINC000008491633
ZINC000008491634
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