Vitas-M small molecule compound
3-{2-[(E)-2-(phenylamino)ethenyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Catalog ID
STK396424
SMILES [O-]S(=O)(=O)CCC[n+]1c(/C=C/Nc2ccccc2)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 C18H18N2O3S2 MW 374.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3S2/c21-25(22,23)14-6-13-20-16-9-4-5-10-17(16)24-18(20)11-12-19-15-7-2-1-3-8-15/h1-5,7-12H,6,13-14H2,(H,21,22,23)InChIKey
BBNSCFVDGDDQRS-UHFFFAOYSA-NSynonyms
(O)S(=O)(=O)CCC(n+)1c(C=CNc2ccccc2)sc2c1cccc2
3(2((1E)2(PHENYLAMINO)VINYL)BENZOTHIAZOL3YL)PROPANESULFONICACID
3(2((E)2(PHENYLAMINO)ETHENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
3(2((E)2ANILINOETHENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
3(2(2ANILINOETHENYL)13BENZOTHIAZOL3IUM3YL)PROPANE1SULFONATE
3(2(2PHENYLIMINOETHYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONICACID
C1=CC=C(C=C1)NC=CC2=(N+)(C3=CC=CC=C3S2)CCCS(=O)(=O)(O)
InChI=1SC18H18N2O3S2c2125(2223)1461320169451017(16)2418(20)111219157213815h15712H61314H2(H212223)
MFCD00377729
ZINC000254288696
ZINC000254288702
ZINC03110465
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