Vitas-M small molecule compound

(5Z)-5-[2-(hexyloxy)benzylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK815816
SMILES CCCCCCOc1ccccc1/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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-3-4-5-10-15-31-20-13-8-6-11-18(20)16-22-25(30)29-26(33-22)27-24(28-29)23-17(2)19-12-7-9-14-21(19)32-23/h6-9,11-14,16H,3-5,10,15H2,1-2H3/b22-16-
InChIKey
JHNQIOOYQQYMMC-JWGURIENSA-N
Synonyms

(5Z)5((2HEXOXYPHENYL)METHYLIDENE)2(3METHYL1BENZOFURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2(hexyloxy)benzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(2(hexyloxy)benzylidene)2(3methylbenzofuran2yl)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=C(C5=CC=CC=C5O4)C)S2
CCCCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC26H25N3O3Sc13451015312013861118(20)162225(30)2926(3322)2724(2829)2317(2)1912791421(19)3223h69111416H351015H212H3b2216
MFCD04594159
ZINC000026531721
ZINC26531721

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Available files

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