Vitas-M small molecule compound

(5Z)-5-(4-fluorobenzylidene)-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK817482
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)F)/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 C22H20FN3O2S MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O2S/c1-2-3-4-13-28-18-11-7-16(8-12-18)20-24-22-26(25-20)21(27)19(29-22)14-15-5-9-17(23)10-6-15/h5-12,14H,2-4,13H2,1H3/b19-14-
InChIKey
JGAPXBXWRBOVPX-RGEXLXHISA-N
Synonyms

(5Z)5((4FLUOROPHENYL)METHYLIDENE)2(4PENTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4fluorobenzylidene)2(4(pentyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)F)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)F)c2=O
InChI=1SC22H20FN3O2Sc123413281811716(81218)20242226(2520)21(27)19(2922)14155917(23)10615h51214H2413H21H3b1914
MFCD06308819
ZINC000003649021
ZINC03649021
ZINC3649021

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Available files

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