Vitas-M small molecule compound
(4E)-2-(4-bromophenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK588632
SMILES Brc1ccc(cc1)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 C20H17BrN2O4S MW 461.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O4S/c21-13-5-7-15(8-6-13)23-19(24)17-4-2-1-3-16(17)18(20(23)25)11-22-14-9-10-28(26,27)12-14/h1-8,11,14,22H,9-10,12H2/b18-11+InChIKey
GAIOOVXFWPKVPE-WOJGMQOQSA-NSynonyms
(4E)2(4bromophenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(4bromophenyl)4(((11dioxothiolan3yl)amino)methylidene)isoquinoline13dione
(E)2(4bromophenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)isoquinoline13(2H4H)dione
Brc1ccc(cc1)N1C(=O)C(=CNC2CCS(=O)(=O)C2)c2c(C1=O)cccc2
C1CS(=O)(=O)CC1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)Br
InChI=1SC20H17BrN2O4Sc21135715(8613)2319(24)17421316(17)18(20(23)25)11221491028(2627)1214h18111422H91012H2b1811+
MFCD06600983
ZINC000020518463
ZINC000020518465
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