Vitas-M small molecule compound

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

Catalog ID
STK368134
SMILES OCC[n+]1c(/C=C(/C=c/2\sc3c(n2CCO)cc(cc3)OC)\CC)sc2c1cc(OC)cc2

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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 C25H29N2O4S2 MW 485.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N2O4S2/c1-4-17(13-24-26(9-11-28)20-15-18(30-2)5-7-22(20)32-24)14-25-27(10-12-29)21-16-19(31-3)6-8-23(21)33-25/h5-8,13-16,28-29H,4,9-12H2,1-3H3/q+1
InChIKey
RRZNZHCNPLOAIX-UHFFFAOYSA-N
Synonyms

2((2E)2((2E)2((3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOL
2((2Z)2((2E)2((3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOL
2((2Z)2((2E)2((3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOLCHLORIDE
2((2Z)2((2Z)2((3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOL
2((2Z)2((E)2ETHYL3(3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOLCHLORIDE
2((2Z)2(2((3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOL
2(2((2Z)2((3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOL
2(2(2((3(2HYDROXYETHYL)5METHOXY13BENZOTHIAZOL3IUM2YL)METHYLIDENE)BUTYLIDENE)5METHOXY13BENZOTHIAZOL3YL)ETHANOL
3(2hydroxyethyl)2((1E)2((Z)(3(2hydroxyethyl)5methoxy13benzothiazol2(3H)ylidene)methyl)but1en1yl)5methoxy13benzothiazol3ium
3(2HYDROXYETHYL)2(2(3(2HYDROXYETHYL)5METHOXY3HBENZOTHIAZOL2YLIDENEMETHYL)BUT1ENYL)5METHOXYBENZOTHIAZOL3IUM
CCC(=CC1=(N+)(C2=C(S1)C=CC(=C2)OC)CCO)C=C3N(C4=C(S3)C=CC(=C4)OC)CCO
InChI=1SC25H29N2O4S2c1417(132426(91128)201518(302)5722(20)3224)142527(101229)211619(313)6823(21)3325h5813162829H4912H213H3q+1
MFCD01078015
OCC(n+)1c(C=C(C=c2sc3c(n2CCO)cc(cc3)OC)CC)sc2c1cc(OC)cc2
ZINC000000829016
ZINC00829016
ZINC08690241
ZINC829016

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Available files

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