Vitas-M small molecule compound
(5E)-2-(4-bromophenyl)-5-(4-butoxy-3-methoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK810250
SMILES CCCCOc1ccc(cc1OC)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)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 C22H20BrN3O3S MW 486.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S/c1-3-4-11-29-17-10-5-14(12-18(17)28-2)13-19-21(27)26-22(30-19)24-20(25-26)15-6-8-16(23)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3/b19-13+InChIKey
SQMBKUFVVHCLSC-CPNJWEJPSA-NSynonyms
(5E)2(4BROMOPHENYL)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4bromophenyl)5(4butoxy3methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(E)2(4bromophenyl)5(4butoxy3methoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2)OC
CCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Br
InChI=1SC22H20BrN3O3Sc13411291710514(1218(17)282)131921(27)2622(3019)2420(2526)156816(23)9715h5101213H3411H212H3b1913+
MFCD02997351
ZINC000001855938
ZINC01855938
ZINC1855938
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