Vitas-M small molecule compound
(5Z)-5-(4-butoxybenzylidene)-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817405
SMILES CCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(cc1)OCCCC)/s2
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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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c1-3-5-7-17-32-22-14-10-20(11-15-22)24-27-26-29(28-24)25(30)23(33-26)18-19-8-12-21(13-9-19)31-16-6-4-2/h8-15,18H,3-7,16-17H2,1-2H3/b23-18-InChIKey
MELHEWKEBKQBSA-NKFKGCMQSA-NSynonyms
(5Z)5((4BUTOXYPHENYL)METHYLIDENE)2(4PENTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4butoxybenzylidene)2(4(pentyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCCCC)SC3=N2
CCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(cc1)OCCCC)s2
InChI=1SC26H29N3O3Sc1357173222141020(111522)24272629(2824)25(30)23(3326)181981221(13919)3116642h81518H371617H212H3b2318
MFCD06642970
ZINC000003649089
ZINC03649089
ZINC3649089
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