Vitas-M small molecule compound
(5Z)-5-(2-chloro-6-fluorobenzylidene)-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818512
SMILES CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1c(F)cccc1Cl)/s2
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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 C23H21ClFN3O2S MW 457.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClFN3O2S/c1-2-3-4-5-13-30-16-11-9-15(10-12-16)21-26-23-28(27-21)22(29)20(31-23)14-17-18(24)7-6-8-19(17)25/h6-12,14H,2-5,13H2,1H3/b20-14-InChIKey
IEVDDYJOXUXTCS-ZHZULCJRSA-NSynonyms
(5Z)5((2CHLORO6FLUOROPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2chloro6fluorobenzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=C(C=CC=C4Cl)F)SC3=N2
CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1c(F)cccc1Cl)s2
InChI=1SC23H21ClFN3O2Sc1234513301611915(101216)21262328(2721)22(29)20(3123)141718(24)76819(17)25h61214H2513H21H3b2014
MFCD06308884
ZINC000003649202
ZINC03649202
ZINC3649202
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