Vitas-M small molecule compound

methyl (2Z)-5-amino-2-(4-bromobenzylidene)-7-(4-bromophenyl)-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

Catalog ID
STK729694
SMILES COC(=O)C1=c2s/c(=C\c3ccc(cc3)Br)/c(=O)n2C(=C(C1c1ccc(cc1)Br)C#N)N

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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 C23H15Br2N3O3S MW 573.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15Br2N3O3S/c1-31-23(30)19-18(13-4-8-15(25)9-5-13)16(11-26)20(27)28-21(29)17(32-22(19)28)10-12-2-6-14(24)7-3-12/h2-10,18H,27H2,1H3/b17-10-
InChIKey
AKHQDSBBWDEIKB-YVLHZVERSA-N
Synonyms

(Z)methyl5amino2(4bromobenzylidene)7(4bromophenyl)6cyano3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
COC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)Br)C#N)N)C(=O)C(=CC4=CC=C(C=C4)Br)S2
COC(=O)C1=c2sc(=Cc3ccc(cc3)Br)c(=O)n2C(=C(C1c1ccc(cc1)Br)C#N)N
InChI=1SC23H15Br2N3O3Sc13123(30)1918(134815(25)9513)16(1126)20(27)2821(29)17(3222(19)28)10122614(24)7312h21018H27H21H3b1710
methyl(2Z)5amino2(4bromobenzylidene)7(4bromophenyl)6cyano3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
METHYL(2Z)5AMINO7(4BROMOPHENYL)2((4BROMOPHENYL)METHYLIDENE)6CYANO3OXO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
MFCD01789427
ZINC000001762288
ZINC000001762292

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Available files

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