Vitas-M small molecule compound
(5E)-2-(4-fluorophenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704990
SMILES C=CCOc1ccc(cc1OC)/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 C21H16FN3O3S MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN3O3S/c1-3-10-28-16-9-4-13(11-17(16)27-2)12-18-20(26)25-21(29-18)23-19(24-25)14-5-7-15(22)8-6-14/h3-9,11-12H,1,10H2,2H3/b18-12+InChIKey
NCJPEVPWUOUEFE-LDADJPATSA-NSynonyms
(5E)2(4FLUOROPHENYL)5((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4fluorophenyl)5(3methoxy4(prop2en1yloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(allyloxy)3methoxybenzylidene)2(4fluorophenyl)thiazolo(32b)(124)triazol6(5H)one
C=CCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)F
COC1=C(C=CC(=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)F)S2)OCC=C
InChI=1SC21H16FN3O3Sc131028169413(1117(16)272)121820(26)2521(2918)2319(2425)145715(22)8614h391112H110H22H3b1812+
MFCD04446705
ZINC000002195479
ZINC02195479
ZINC2195479
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