Vitas-M small molecule compound
(5Z)-5-[4-(pentyloxy)benzylidene]-2-[4-(prop-2-en-1-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817828
SMILES CCCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCC=C
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-3-5-6-16-31-20-11-7-18(8-12-20)17-22-24(29)28-25(32-22)26-23(27-28)19-9-13-21(14-10-19)30-15-4-2/h4,7-14,17H,2-3,5-6,15-16H2,1H3/b22-17-InChIKey
OQBAPJBOEAINTF-XLNRJJMWSA-NSynonyms
(5Z)5((4PENTOXYPHENYL)METHYLIDENE)2(4PROP2ENOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(pentyloxy)benzylidene)2(4(prop2en1yloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCC=C)S2
CCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCC=C
InChI=1SC25H25N3O3Sc135616312011718(81220)172224(29)2825(3222)2623(2728)1991321(141019)301542h471417H23561516H21H3b2217
MFCD06643005
ZINC000016736565
ZINC16736565
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