Vitas-M small molecule compound
(5Z)-5-(3-chlorobenzylidene)-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818314
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cccc(c1)Cl)/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 C23H22ClN3O2S MW 439.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O2S/c1-2-3-4-5-13-29-19-11-9-17(10-12-19)21-25-23-27(26-21)22(28)20(30-23)15-16-7-6-8-18(24)14-16/h6-12,14-15H,2-5,13H2,1H3/b20-15-InChIKey
KSDTXLJIJCDYSD-HKWRFOASSA-NSynonyms
(5Z)5((3CHLOROPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3chlorobenzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)Cl)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)Cl)c2=O
InChI=1SC23H22ClN3O2Sc1234513291911917(101219)21252327(2621)22(28)20(3023)151676818(24)1416h6121415H2513H21H3b2015
MFCD06308865
ZINC000003649140
ZINC03649140
ZINC3649140
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