Vitas-M small molecule compound

(3Z)-5-bromo-1-butyl-3-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one

Catalog ID
STK800445
SMILES CCCCN1c2ccc(cc2/C(=c\2/sc3n(c2=O)nc(n3)c2cccc(c2)Cl)/C1=O)Br

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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 C22H16BrClN4O2S MW 515.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrClN4O2S/c1-2-3-9-27-16-8-7-13(23)11-15(16)17(20(27)29)18-21(30)28-22(31-18)25-19(26-28)12-5-4-6-14(24)10-12/h4-8,10-11H,2-3,9H2,1H3/b18-17-
InChIKey
LJCMHWGTYKUCMV-ZCXUNETKSA-N
Synonyms
573938-93-9
(3Z)5bromo1butyl3(2(3chlorophenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(5BROMO1BUTYL2OXOINDOL3YLIDENE)2(3CHLOROPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5(5bromo1butyl2oxoindolin3ylidene)2(3chlorophenyl)thiazolo(32b)(124)triazol6(5H)one
5(5BROMO1BUTYL2OXOBENZO(D)AZOLIN3YLIDENE)2(3CHLOROPHENYL)13THIAZOLIDINO(32D)124TRIAZOL6ONE
573938939
CCCCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N4C(=NC(=N4)C5=CC(=CC=C5)Cl)S3)C1=O
CCCCN1c2ccc(cc2C(=c2sc3n(c2=O)nc(n3)c2cccc(c2)Cl)C1=O)Br
InChI=1SC22H16BrClN4O2Sc123927168713(23)1115(16)17(20(27)29)1821(30)2822(3118)2519(2628)1254614(24)1012h481011H239H21H3b1817
MFCD04020372
ZINC000013748101
ZINC13748101

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Available files

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