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Vitas-M small molecule compound

3-(2-hydroxyethyl)-2-{(1Z,3Z)-3-[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-methylprop-1-en-1-yl}-1,3-benzothiazol-3-ium

Catalog ID
STK326063
SMILES OCCn1/c(=C/C(=C\c2sc3c([n+]2CCO)cccc3)/C)/sc2c1cccc2

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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 C22H23N2O2S2 MW 411.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N2O2S2/c1-16(14-21-23(10-12-25)17-6-2-4-8-19(17)27-21)15-22-24(11-13-26)18-7-3-5-9-20(18)28-22/h2-9,14-15,25-26H,10-13H2,1H3/q+1
InChIKey
AJKPVPNBPNCPLH-UHFFFAOYSA-N
Synonyms

2((2E)2((E)3(3(2HYDROXYETHYL)13BENZOTHIAZOL3IUM2YL)2METHYLPROP2ENYLIDENE)13BENZOTHIAZOL3YL)ETHANOL
2((2E)2((Z)3(3(2HYDROXYETHYL)13BENZOTHIAZOL3IUM2YL)2METHYLPROP2ENYLIDENE)13BENZOTHIAZOL3YL)ETHANOL
2((2Z)2((E)3(3(2HYDROXYETHYL)13BENZOTHIAZOL3IUM2YL)2METHYLPROP2ENYLIDENE)13BENZOTHIAZOL3YL)ETHANOL
2((2Z)2((Z)3(3(2HYDROXYETHYL)13BENZOTHIAZOL3IUM2YL)2METHYLPROP2ENYLIDENE)13BENZOTHIAZOL3YL)ETHANOL
2((2Z)2(3(3(2HYDROXYETHYL)13BENZOTHIAZOL3IUM2YL)2METHYLPROP2ENYLIDENE)13BENZOTHIAZOL3YL)ETHANOL
2(2(3(3(2HYDROXYETHYL)13BENZOTHIAZOL3IUM2YL)2METHYLPROP2ENYLIDENE)13BENZOTHIAZOL3YL)ETHANOL
3(2HYDROXYETHYL)2((1Z3Z)3(3(2HYDROXYETHYL)13BENZOTHIAZOL2(3H)YLIDENE)2METHYLPROP1EN1YL)13BENZOTHIAZOL3IUM
3(2HYDROXYETHYL)2(2(((2Z)3(2HYDROXYETHYL)13BENZOTHIAZOL2YLIDENE)METHYL)PROP1EN1YL)13BENZOTHIAZOL3IUM
3(2HYDROXYETHYL)2(2(((2Z)3(2HYDROXYETHYL)23DIHYDRO13BENZOTHIAZOL2YLIDENE)METHYL)PROP1EN1YL)13BENZOTHIAZOL3IUM
3(2HYDROXYETHYL)2(3(3(2HYDROXYETHYL)3HBENZOTHIAZOL2YLIDENE)2METHYLPROPENYL)BENZOTHIAZOL3IUM
3(2HYDROXYETHYL)2(3(3(2HYDROXYETHYL)BENZOTHIAZOL2(3H)YLIDENE)2METHYL1PROPENYL)BENZOTHIAZOL3IUM
CC(=CC1=(N+)(C2=CC=CC=C2S1)CCO)C=C3N(C4=CC=CC=C4S3)CCO
InChI=1SC22H23N2O2S2c116(142123(101225)17624819(17)2721)152224(111326)18735920(18)2822h2914152526H1013H21H3q+1
MFCD10465680
OCCn1c(=CC(=Cc2sc3c((n+)2CCO)cccc3)C)sc2c1cccc2
ZINC00777902
ZINC04531736
ZINC16102025
ZINC17198538
ZINC18036992
ZINC31351086
ZINC4531736

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Available files

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