Vitas-M small molecule compound
(4E)-2-(3,4-dimethylphenyl)-4-[(1,3-thiazol-2-ylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK579261
SMILES O=C1/C(=C/Nc2nccs2)/c2ccccc2C(=O)N1c1ccc(c(c1)C)C
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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 C21H17N3O2S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S/c1-13-7-8-15(11-14(13)2)24-19(25)17-6-4-3-5-16(17)18(20(24)26)12-23-21-22-9-10-27-21/h3-12H,1-2H3,(H,22,23)/b18-12+InChIKey
HQUNOSDYTIAVOT-LDADJPATSA-NSynonyms
(4E)2(34dimethylphenyl)4((13thiazol2ylamino)methylidene)isoquinoline13(2H4H)dione
(4E)2(34DIMETHYLPHENYL)4((13THIAZOL2YLAMINO)METHYLIDENE)ISOQUINOLINE13DIONE
(E)2(34dimethylphenyl)4((thiazol2ylamino)methylene)isoquinoline13(2H4H)dione
CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=CS4)C2=O)C
InChI=1SC21H17N3O2Sc1137815(1114(13)2)2419(25)17643516(17)18(20(24)26)122321229102721h312H12H3(H2223)b1812+
MFCD03965738
O=C1C(=CNc2nccs2)c2ccccc2C(=O)N1c1ccc(c(c1)C)C
ZINC000006199566
ZINC6199566
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