Vitas-M small molecule compound
(5E)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816136
SMILES COc1cc(ccc1OCCC(C)C)/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/c1-15(2)11-12-32-20-10-9-17(13-21(20)31-4)14-22-25(30)29-26(34-22)27-24(28-29)23-16(3)18-7-5-6-8-19(18)33-23/h5-10,13-15H,11-12H2,1-4H3/b22-14+InChIKey
BNSSHGKYEKKVOC-HYARGMPZSA-NSynonyms
(5E)5((3methoxy4(3methylbutoxy)phenyl)methylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6one
(5E)5(3methoxy4(3methylbutoxy)benzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CC(=C(C=C5)OCCC(C)C)OC)SC4=N3
COc1cc(ccc1OCCC(C)C)C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC26H25N3O4Sc115(2)1112322010917(1321(20)314)142225(30)2926(3422)2724(2829)2316(3)18756819(18)3323h5101315H1112H214H3b2214+
MFCD06642690
ZINC000016733086
ZINC16733086
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