Vitas-M small molecule compound

(4Z)-4-[(1,3-benzothiazol-2-ylamino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione

Catalog ID
STK590712
SMILES Cc1ccc(c(c1)C)N1C(=O)/C(=C\Nc2nc3c(s2)cccc3)/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 C25H19N3O2S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O2S/c1-15-11-12-21(16(2)13-15)28-23(29)18-8-4-3-7-17(18)19(24(28)30)14-26-25-27-20-9-5-6-10-22(20)31-25/h3-14H,1-2H3,(H,26,27)/b19-14-
InChIKey
BNVWXXHTXFDFQH-RGEXLXHISA-N
Synonyms

(4Z)4((13benzothiazol2ylamino)methylidene)2(24dimethylphenyl)isoquinoline13(2H4H)dione
(4Z)4((13BENZOTHIAZOL2YLAMINO)METHYLIDENE)2(24DIMETHYLPHENYL)ISOQUINOLINE13DIONE
(Z)4((benzo(d)thiazol2ylamino)methylene)2(24dimethylphenyl)isoquinoline13(2H4H)dione
CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC5=CC=CC=C5S4)C2=O)C
Cc1ccc(c(c1)C)N1C(=O)C(=CNc2nc3c(s2)cccc3)c2c(C1=O)cccc2
InChI=1SC25H19N3O2Sc115111221(16(2)1315)2823(29)18843717(18)19(24(28)30)14262527209561022(20)3125h314H12H3(H2627)b1914
MFCD03968832
ZINC000013541209
ZINC13541209

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Available files

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