Vitas-M small molecule compound
(5Z)-5-(5-bromo-2-methoxybenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK703810
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cc(Br)ccc1OC)/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 C21H18BrN3O3S MW 472.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O3S/c1-3-10-28-16-7-4-13(5-8-16)19-23-21-25(24-19)20(26)18(29-21)12-14-11-15(22)6-9-17(14)27-2/h4-9,11-12H,3,10H2,1-2H3/b18-12-InChIKey
CMXPWOYZWWPNJW-PDGQHHTCSA-NSynonyms
606953-76-8(5Z)5((5BROMO2METHOXYPHENYL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(5bromo2methoxybenzylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(5bromo2methoxybenzylidene)2(4propoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
606953768
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=C(C=CC(=C4)Br)OC)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cc(Br)ccc1OC)c2=O
InChI=1SC21H18BrN3O3Sc131028167413(5816)19232125(2419)20(26)18(2921)12141115(22)6917(14)272h491112H310H212H3b1812
MFCD03533219
ZINC000013750965
ZINC13750965
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