Vitas-M small molecule compound

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

Catalog ID
STK815814
SMILES CCCCCCOc1ccc(cc1OC)/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 C27H27N3O4S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S/c1-4-5-6-9-14-33-21-13-12-18(15-22(21)32-3)16-23-26(31)30-27(35-23)28-25(29-30)24-17(2)19-10-7-8-11-20(19)34-24/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3/b23-16-
InChIKey
RBBFCFRASXBFDT-KQWNVCNZSA-N
Synonyms

(5Z)5((4HEXOXY3METHOXYPHENYL)METHYLIDENE)2(3METHYL1BENZOFURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(hexyloxy)3methoxybenzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(4(hexyloxy)3methoxybenzylidene)2(3methylbenzofuran2yl)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=C(C5=CC=CC=C5O4)C)S2)OC
CCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC27H27N3O4Sc14569143321131218(1522(21)323)162326(31)3027(3523)2825(2930)2417(2)1910781120(19)3424h7810131516H46914H213H3b2316
MFCD04588754
ZINC000026531715
ZINC26531715

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Available files

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