Vitas-M small molecule compound
(5E)-2-(4-bromophenyl)-5-(2-butoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK703780
SMILES CCCCOc1ccccc1/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 C21H18BrN3O2S MW 456.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O2S/c1-2-3-12-27-17-7-5-4-6-15(17)13-18-20(26)25-21(28-18)23-19(24-25)14-8-10-16(22)11-9-14/h4-11,13H,2-3,12H2,1H3/b18-13+InChIKey
IWSXPGFYNRSZLG-QGOAFFKASA-NSynonyms
769142-98-5(5E)2(4BROMOPHENYL)5((2BUTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4bromophenyl)5(2butoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4bromophenyl)5(2butoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
2(4BROMOPHENYL)5(2BUTOXYBENZYLIDENE)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
769142985
CCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2
CCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Br
InChI=1SC21H18BrN3O2Sc123122717754615(17)131820(26)2521(2818)2319(2425)1481016(22)11914h41113H2312H21H3b1813+
MFCD04442556
ZINC000026503205
ZINC26503205
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