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Vitas-M small molecule compound

3-[(2Z)-2-{(2E)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate

Catalog ID
STL363179
SMILES CC/C(=C\c1oc2c([n+]1C)cc(cc2)OC)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])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 C24H26N2O5S2 MW 486.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5S2/c1-4-17(14-23-25(2)20-16-18(30-3)10-11-21(20)31-23)15-24-26(12-7-13-33(27,28)29)19-8-5-6-9-22(19)32-24/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3
InChIKey
BOFHDMZYLSGIHY-UHFFFAOYSA-N
Synonyms
55811-26-2
3((2Z)2((2E)2((5methoxy3methyl13benzoxazol3ium2yl)methylidene)butylidene)13benzothiazol3(2H)yl)propane1sulfonate
3((Z)2((E)2((5methoxy3methylbenzo(d)oxazol3ium2yl)methylene)butylidene)benzo(d)thiazol3(2H)yl)propane1sulfonate
3(2((2E)2ETHYL3(5METHOXY3METHYLBENZOXAZOL2YL)PROP2ENYLIDENE)3HYDROBENZOTHIAZOL3YL)PROPANESULFONICACID
3(2((E)2((Z)(5METHOXY3METHYL13BENZOXAZOL2YLIDENE)METHYL)BUT1ENYL)13BENZOTHIAZOL3IUM3YL)1PROPANESULFONATE
3(2((E)2((Z)(5METHOXY3METHYL13BENZOXAZOL2YLIDENE)METHYL)BUT1ENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
3(2(2((5METHOXY3METHYL13BENZOXAZOL2(3H)YLIDENE)METHYL)BUT1EN1YL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
3(2(2((5METHOXY3METHYL13BENZOXAZOL2YLIDENE)METHYL)BUT1ENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
55811262
5METHOXY3METHYL2(2((3(3SULFONATOPROPYL)3HBENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)BENZOXAZOLIUM
5METHOXY3METHYL2(2((3(3SULPHONATOPROPYL)3HBENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)BENZOXAZOLIUM
BENZOXAZOLIUM5METHOXY3METHYL2(2((3(3SULFOPROPYL)2(3H)BENZOTHIAZOLYLIDENE)METHYL)1BUTEN1YL)INNERSALT
CCC(=CC1=(N+)(C2=CC=CC=C2S1)CCCS(=O)(=O)(O))C=C3N(C4=C(O3)C=CC(=C4)OC)C
CCC(=Cc1oc2c((n+)1C)cc(cc2)OC)C=c1sc2c(n1CCCS(=O)(=O)(O))cccc2
InChI=1SC24H26N2O5S2c1417(142325(2)201618(303)101121(20)3123)152426(1271333(2728)29)19856922(19)3224h568111416H471213H213H3
MFCD00550914
ZINC08934987

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Available files

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