Vitas-M small molecule compound
3-(2-carboxyethyl)-5-methoxy-2-methyl-1,3-benzothiazol-3-ium
Catalog ID
STK396225
SMILES Cc1sc2c([n+]1CCC(=O)O)cc(cc2)OC
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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 C12H14NO3S MW 252.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO3S/c1-8-13(6-5-12(14)15)10-7-9(16-2)3-4-11(10)17-8/h3-4,7H,5-6H2,1-2H3/p+1InChIKey
MFCKADSULAZYFQ-UHFFFAOYSA-OSynonyms
3(2carboxyethyl)5methoxy2methyl13benzothiazol3ium
3(2CARBOXYETHYL)5METHOXY2METHYLBENZOTHIAZOL3IUM
3(5METHOXY2METHYL13BENZOTHIAZOL3IUM3YL)PROPANOICACID
CC1=(N+)(C2=C(S1)C=CC(=C2)OC)CCC(=O)O
Cc1sc2c((n+)1CCC(=O)O)cc(cc2)OC
InChI=1SC12H13NO3Sc1813(6512(14)15)1079(162)3411(10)178h347H56H212H3p+1
MFCD00656941
ZINC000000294942
ZINC294942
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