Vitas-M small molecule compound
(5Z)-5-(4-bromobenzylidene)-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815529
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)Br)/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/c1-2-3-12-27-17-10-6-15(7-11-17)19-23-21-25(24-19)20(26)18(28-21)13-14-4-8-16(22)9-5-14/h4-11,13H,2-3,12H2,1H3/b18-13-InChIKey
XVLWQDDVBGFTMK-AQTBWJFISA-NSynonyms
(5Z)5((4BROMOPHENYL)METHYLIDENE)2(4BUTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4bromobenzylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
5((4BROMOPHENYL)METHYLENE)2(4BUTOXYPHENYL)13THIAZOLIDINO(32D)124TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)Br)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)Br)c2=O
InChI=1SC21H18BrN3O2Sc12312271710615(71117)19232125(2419)20(26)18(2821)13144816(22)9514h41113H2312H21H3b1813
MFCD03497481
ZINC000001806301
ZINC01806301
ZINC1806301
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