Vitas-M small molecule compound
(5Z)-2-[4-(pentyloxy)phenyl]-5-(4-propoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817736
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)OCCC)/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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-3-5-6-16-31-21-13-9-19(10-14-21)23-26-25-28(27-23)24(29)22(32-25)17-18-7-11-20(12-8-18)30-15-4-2/h7-14,17H,3-6,15-16H2,1-2H3/b22-17-InChIKey
HPQGMBRQAREEJT-XLNRJJMWSA-NSynonyms
(5Z)2(4(pentyloxy)phenyl)5(4propoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4PENTOXYPHENYL)5((4PROPOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCCC)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)OCCC)c2=O
InChI=1SC25H27N3O3Sc135616312113919(101421)23262528(2723)24(29)22(3225)171871120(12818)301542h71417H361516H212H3b2217
MFCD06642994
ZINC000003649085
ZINC03649085
ZINC3649085
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