Vitas-M small molecule compound

(4E)-2-(3-bromophenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione

Catalog ID
STK576008
SMILES Brc1cccc(c1)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/c21-13-4-3-5-15(10-13)23-19(24)17-7-2-1-6-16(17)18(20(23)25)11-22-14-8-9-28(26,27)12-14/h1-7,10-11,14,22H,8-9,12H2/b18-11+
InChIKey
OBWIRIJGZVMJQF-WOJGMQOQSA-N
Synonyms

(4E)2(3bromophenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(3bromophenyl)4(((11dioxothiolan3yl)amino)methylidene)isoquinoline13dione
(E)2(3bromophenyl)4(((11dioxidotetrahydrothiophen3yl)amino)methylene)isoquinoline13(2H4H)dione
Brc1cccc(c1)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(=CC=C4)Br
InChI=1SC20H17BrN2O4Sc211343515(1013)2319(24)17721616(17)18(20(23)25)1122148928(2627)1214h1710111422H8912H2b1811+
MFCD06610087
ZINC000020533366
ZINC000020533367

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Available files

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