Vitas-M small molecule compound
3-{2-[(E)-2-(phenylamino)ethenyl]naphtho[1,2-d][1,3]oxazol-1-ium-1-yl}propane-1-sulfonate
Catalog ID
STK034267
SMILES [O-]S(=O)(=O)CCC[n+]1c(/C=C/Nc2ccccc2)oc2c1c1ccccc1cc2
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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c25-29(26,27)16-6-15-24-21(13-14-23-18-8-2-1-3-9-18)28-20-12-11-17-7-4-5-10-19(17)22(20)24/h1-5,7-14H,6,15-16H2,(H,25,26,27)InChIKey
QPYXULKJZNCXNA-UHFFFAOYSA-NSynonyms
(O)S(=O)(=O)CCC(n+)1c(C=CNc2ccccc2)oc2c1c1ccccc1cc2
3(2((E)2(PHENYLAMINO)ETHENYL)NAPHTHO(12D)(13)OXAZOL1IUM1YL)PROPANE1SULFONATE
3(2((E)2ANILINOETHENYL)BENZO(E)(13)BENZOXAZOL1IUM1YL)PROPANE1SULFONATE
3(2(2ANILINOETHENYL)BENZO(E)(13)BENZOXAZOL1IUM1YL)PROPANE1SULFONATE
C1=CC=C(C=C1)NC=CC2=(N+)(C3=C(O2)C=CC4=CC=CC=C43)CCCS(=O)(=O)(O)
InChI=1SC22H20N2O4Sc2529(2627)166152421(131423188213918)28201211177451019(17)22(20)24h15714H61516H2(H252627)
MFCD00551100
STK034267
ZINC000334157160
ZINC000334157161
ZINC01994471
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