Vitas-M small molecule compound
2-{(5E)-5-[3-methoxy-4-(pentyloxy)benzylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Catalog ID
STK796839
SMILES CCCCCOc1ccc(cc1OC)/C=c\1/sc2n(c1=O)nc(n2)c1ccccc1OC(=O)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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-4-5-8-13-32-20-12-11-17(14-21(20)31-3)15-22-24(30)28-25(34-22)26-23(27-28)18-9-6-7-10-19(18)33-16(2)29/h6-7,9-12,14-15H,4-5,8,13H2,1-3H3/b22-15+InChIKey
MTPKLVFOLNMLAO-PXLXIMEGSA-NSynonyms
(2((5E)5((3METHOXY4PENTOXYPHENYL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(E)2(5(3methoxy4(pentyloxy)benzylidene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5E)5(3methoxy4(pentyloxy)benzylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C
InChI=1SC25H25N3O5Sc1458133220121117(1421(20)313)152224(30)2825(3422)2623(2728)189671019(18)3316(2)29h679121415H45813H213H3b2215+
MFCD02988718
ZINC000002228005
ZINC02228005
ZINC2228005
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