Vitas-M small molecule compound
(5E)-5-[4-(hexyloxy)-3-methoxybenzylidene]-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK812903
SMILES CCCCCCOc1ccc(cc1OC)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)OC
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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-4-5-6-7-14-32-20-13-8-17(15-21(20)31-3)16-22-24(29)28-25(33-22)26-23(27-28)18-9-11-19(30-2)12-10-18/h8-13,15-16H,4-7,14H2,1-3H3/b22-16+InChIKey
SOLGMKWREFHKHB-CJLVFECKSA-NSynonyms
(5E)5((4HEXOXY3METHOXYPHENYL)METHYLIDENE)2(4METHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4(hexyloxy)3methoxybenzylidene)2(4methoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OC)S2)OC
CCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OC
InChI=1SC25H27N3O4Sc1456714322013817(1521(20)313)162224(29)2825(3322)2623(2728)1891119(302)121018h8131516H4714H213H3b2216+
MFCD06642659
ZINC000016729282
ZINC16729282
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