Vitas-M small molecule compound
3-(2-{(Z)-[3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Catalog ID
STK367806
SMILES [O-]S(=O)(=O)CCC[n+]1c(/C=c/2\sc3c(n2CCCS(=O)(=O)O)cccc3)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 C21H22N2O6S4 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6S4/c24-32(25,26)13-5-11-22-16-7-1-3-9-18(16)30-20(22)15-21-23(12-6-14-33(27,28)29)17-8-2-4-10-19(17)31-21/h1-4,7-10,15H,5-6,11-14H2,(H-,24,25,26,27,28,29)InChIKey
LEHNIODEVBKCSR-UHFFFAOYSA-NSynonyms
(O)S(=O)(=O)CCC(n+)1c(C=c2sc3c(n2CCCS(=O)(=O)O)cccc3)sc2c1cccc2
3((2Z)2((3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)METHYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3(2((3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)METHYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3(2((3(3SULFOPROPYL)3HYDROBENZOTHIAZOL2YLIDENE)METHYL)BENZOTHIAZOL3YL)PROPANESULFONICACID
3(2((Z)(3(3sulfopropyl)13benzothiazol2(3H)ylidene)methyl)13benzothiazol3ium3yl)propane1sulfonate
C1=CC=C2C(=C1)N(C(=CC3=(N+)(C4=CC=CC=C4S3)CCCS(=O)(=O)O)S2)CCCS(=O)(=O)(O)
InChI=1SC21H22N2O6S4c2432(2526)135112216713918(16)3020(22)152123(1261433(2728)29)178241019(17)3121h1471015H561114H2(H242526272829)
MFCD00186070
ZINC000004013474
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.