Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-methoxybenzylidene]-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704430
SMILES COc1cc(ccc1OCc1ccccc1)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)F
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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 C25H18FN3O3S MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18FN3O3S/c1-31-21-13-17(7-12-20(21)32-15-16-5-3-2-4-6-16)14-22-24(30)29-25(33-22)27-23(28-29)18-8-10-19(26)11-9-18/h2-14H,15H2,1H3/b22-14+InChIKey
ASKNRHICSNLNJD-HYARGMPZSA-NSynonyms
(5E)2(4FLUOROPHENYL)5((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4(benzyloxy)3methoxybenzylidene)2(4fluorophenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(benzyloxy)3methoxybenzylidene)2(4fluorophenyl)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)F)S2)OCC5=CC=CC=C5
COc1cc(ccc1OCc1ccccc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)F
InChI=1SC25H18FN3O3Sc131211317(71220(21)3215165324616)142224(30)2925(3322)2723(2829)1881019(26)11918h214H15H21H3b2214+
MFCD06642749
ZINC000026533924
ZINC26533924
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