Vitas-M small molecule compound
3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate
Catalog ID
STK396353
SMILES Cc1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1
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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 C17H17NO4S MW 331.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4S/c1-13-18(10-5-11-23(19,20)21)16-12-15(8-9-17(16)22-13)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3InChIKey
DKMBQSTXNOURJD-UHFFFAOYSA-NSynonyms
66142-15-22METHYL5PHENYL3(3SULFONATOPROPYL)13BENZOXAZOL3IUM
2METHYL5PHENYL3(3SULFOPROPYL)BENZOXAZOLIUMHYDROXIDEINNERSALT
2METHYL5PHENYL3(3SULFOPROPYL)BENZOXAZOLIUMINNERSALT
2METHYL5PHENYL3(3SULPHONATOPROPYL)BENZOXAZOLIUM
3(2methyl5phenyl13benzoxazol3ium3yl)propane1sulfonate
3(2METHYL5PHENYLBENZOXAZOL3YL)PROPANESULFONICACID
66142152
ANHYDRO2METHYL5PHENYL3(3SULFOPROPYL)BENZOXAZOLIUMHYDROXIDE
BENZOXAZOLIUM2METHYL5PHENYL3(3SULFOPROPYL)INNERSALT
CC1=(N+)(C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)(O)
Cc1oc2c((n+)1CCCS(=O)(=O)(O))cc(cc2)c1ccccc1
InChI=1SC17H17NO4Sc11318(1051123(1920)21)161215(8917(16)2213)146324714h246912H51011H21H3
MFCD00142941
ZINC02057053
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