Vitas-M small molecule compound
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 ethyl sulfate
Catalog ID
STK015345
SMILES COc1ccc2c(c1)[n+](CC)c(o2)/C=C(/C=c/1\oc2c(n1CC)cc(cc2)OC)\CC.CCOS(=O)(=O)[O-]
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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 C27H34N2O8S MW 546.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N2O4.C2H6O4S/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;1-2-6-7(3,4)5/h9-16H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1InChIKey
WBONQPNCINBVIH-UHFFFAOYSA-MSynonyms
1258388-33-8(2Z)3ethyl2((2E)2((3ethyl5methoxy13benzoxazol3ium2yl)methylidene)butylidene)5methoxy13benzoxazoleethylsulfate
1258388338
3ETHYL2((1E)2((Z)(3ETHYL5METHOXY13BENZOXAZOL2(3H)YLIDENE)METHYL)BUT1EN1YL)5METHOXY13BENZOXAZOL3IUMETHYLSULFATE
3ethyl2((E)2((Z)(3ethyl5methoxybenzo(d)oxazol2(3H)ylidene)methyl)but1en1yl)5methoxybenzo(d)oxazol3iumethylsulfate
CCC(=CC1=(N+)(C2=C(O1)C=CC(=C2)OC)CC)C=C3N(C4=C(O3)C=CC(=C4)OC)CCCCOS(=O)(=O)(O)
COc1ccc2c(c1)(n+)(CC)c(o2)C=C(C=c1oc2c(n1CC)cc(cc2)OC)CCCCOS(=O)(=O)(O)
InChI=1SC25H29N2O4C2H6O4Sc1617(132426(72)201518(284)91122(20)3024)142527(83)211619(295)101223(21)31251267(34)5h916H68H215H32H21H3(H345)q+1p1
MFCD00550919
STK015345
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