Vitas-M small molecule compound

(5Z)-5-(2-bromobenzylidene)-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK816101
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccccc1Br)/c2=O

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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 C21H18BrN3O2S MW 456.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O2S/c1-2-3-12-27-16-10-8-14(9-11-16)19-23-21-25(24-19)20(26)18(28-21)13-15-6-4-5-7-17(15)22/h4-11,13H,2-3,12H2,1H3/b18-13-
InChIKey
JJTKLOSRKZLZEN-AQTBWJFISA-N
Synonyms

(5Z)5((2BROMOPHENYL)METHYLIDENE)2(4BUTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2bromobenzylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4Br)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1Br)c2=O
InChI=1SC21H18BrN3O2Sc12312271610814(91116)19232125(2419)20(26)18(2821)1315645717(15)22h41113H2312H21H3b1813
MFCD03533282
ZINC000003636995
ZINC03636995
ZINC3636995

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Available files

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