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3-ethyl-2-{(1E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-methoxy-1,3-benzoxazol-3-ium

Catalog ID
STK372829
SMILES COc1ccc2c(c1)[n+](CC)c(o2)/C=C(/C=c/1\oc2c(n1CC)cc(cc2)OC)\CC

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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 C25H29N2O4 MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N2O4/c1-6-17(13-24-26(7-2)20-15-18(28-4)9-11-22(20)30-24)14-25-27(8-3)21-16-19(29-5)10-12-23(21)31-25/h9-16H,6-8H2,1-5H3/q+1
InChIKey
NQGSPDVIPVBINQ-UHFFFAOYSA-N
Synonyms

(2E)3ETHYL2((2E)2((3ETHYL5METHOXY13BENZOXAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOXAZOLE
(2Z)3ETHYL2((2E)2((3ETHYL5METHOXY13BENZOXAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOXAZOLE
(2Z)3ETHYL2((2Z)2((3ETHYL5METHOXY13BENZOXAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOXAZOLE
(2Z)3ETHYL2(2((3ETHYL5METHOXY13BENZOXAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOXAZOLE
3ethyl2((1E)2((Z)(3ethyl5methoxy13benzoxazol2(3H)ylidene)methyl)but1en1yl)5methoxy13benzoxazol3ium
3ETHYL2(2((3ETHYL5METHOXY13BENZOXAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOXAZOLE
3ETHYL2(2((3ETHYL5METHOXYBENZOXAZOL2(3H)YLIDENE)METHYL)1BUTENYL)5METHOXYBENZOXAZOLIUM
3ETHYL2(2((Z)(3ETHYL5METHOXY13BENZOXAZOL2(3H)YLIDENE)METHYL)BUT1EN1YL)5METHOXY13BENZOXAZOL3IUM
CCC(=CC1=(N+)(C2=C(O1)C=CC(=C2)OC)CC)C=C3N(C4=C(O3)C=CC(=C4)OC)CC
COc1ccc2c(c1)(n+)(CC)c(o2)C=C(C=c1oc2c(n1CC)cc(cc2)OC)CC
InChI=1SC25H29N2O4c1617(132426(72)201518(284)91122(20)3024)142527(83)211619(295)101223(21)3125h916H68H215H3q+1
MFCD01078705
ZINC01307812
ZINC01307813
ZINC1307812
ZINC13574274

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Available files

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