Vitas-M small molecule compound

(5E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK814163
SMILES CCCCOc1ccc(cc1OCC)/C=c\1/sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2

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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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-4-6-13-32-20-12-11-17(14-21(20)31-5-2)15-22-25(30)29-26(34-22)27-24(28-29)23-16(3)18-9-7-8-10-19(18)33-23/h7-12,14-15H,4-6,13H2,1-3H3/b22-15+
InChIKey
CBXFJCSLCJSUGZ-PXLXIMEGSA-N
Synonyms
618078-22-1
(5E)5((4BUTOXY3ETHOXYPHENYL)METHYLIDENE)2(3METHYL1BENZOFURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4butoxy3ethoxybenzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(4butoxy3ethoxybenzylidene)2(3methylbenzofuran2yl)thiazolo(32b)(124)triazol6(5H)one
5((4BUTOXY3ETHOXYPHENYL)METHYLENE)2(3METHYLBENZO(D)FURAN2YL)13THIAZOLIDINO(32D)124TRIAZOL6ONE
5(4BUTOXY3ETHOXYBENZYLIDENE)2(3METHYLBENZOFURAN2YL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
618078221
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=C(C5=CC=CC=C5O4)C)S2)OCC
CCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC26H25N3O4Sc146133220121117(1421(20)3152)152225(30)2926(3422)2724(2829)2316(3)189781019(18)3323h7121415H4613H213H3b2215+
MFCD03667333
ZINC000013646898
ZINC13646898

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Available files

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