Vitas-M small molecule compound
(5Z)-5-(2-chlorobenzylidene)-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818328
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccccc1Cl)/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/c1-2-3-4-7-14-29-18-12-10-16(11-13-18)21-25-23-27(26-21)22(28)20(30-23)15-17-8-5-6-9-19(17)24/h5-6,8-13,15H,2-4,7,14H2,1H3/b20-15-InChIKey
OOEPVCAOXHTOHQ-HKWRFOASSA-NSynonyms
(5Z)5((2CHLOROPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2chlorobenzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4Cl)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1Cl)c2=O
InChI=1SC23H22ClN3O2Sc12347142918121016(111318)21252327(2621)22(28)20(3023)1517856919(17)24h5681315H24714H21H3b2015
MFCD06308864
ZINC000003649137
ZINC03649137
ZINC3649137
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