Vitas-M small molecule compound
(5Z)-5-(3-chlorobenzylidene)-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817495
SMILES CCCCCOc1ccc(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 C22H20ClN3O2S MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O2S/c1-2-3-4-12-28-18-10-8-16(9-11-18)20-24-22-26(25-20)21(27)19(29-22)14-15-6-5-7-17(23)13-15/h5-11,13-14H,2-4,12H2,1H3/b19-14-InChIKey
SECMFNOGWQGDGG-RGEXLXHISA-NSynonyms
(5Z)5((3CHLOROPHENYL)METHYLIDENE)2(4PENTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3chlorobenzylidene)2(4(pentyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)Cl)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)Cl)c2=O
InChI=1SC22H20ClN3O2Sc123412281810816(91118)20242226(2520)21(27)19(2922)141565717(23)1315h5111314H2412H21H3b1914
MFCD06308814
ZINC000003649004
ZINC03649004
ZINC3649004
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