Vitas-M small molecule compound

3-(2-carboxyethyl)-5-hydroxy-2-methyl-1,3-benzothiazol-3-ium

Catalog ID
STK330310
SMILES OC(=O)CC[n+]1c(C)sc2c1cc(O)cc2

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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 C11H12NO3S MW 238.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11NO3S/c1-7-12(5-4-11(14)15)9-6-8(13)2-3-10(9)16-7/h2-3,6H,4-5H2,1H3,(H-,13,14,15)/p+1
InChIKey
WASHAFQBJKJFRU-UHFFFAOYSA-O
Synonyms

3(2carboxyethyl)5hydroxy2methyl13benzothiazol3ium
3(5HYDROXY2METHYL13BENZOTHIAZOL3IUM3YL)PROPANOICACID
CC1=(N+)(C2=C(S1)C=CC(=C2)O)CCC(=O)O
InChI=1SC11H11NO3Sc1712(5411(14)15)968(13)2310(9)167h236H45H21H3(H131415)p+1
MFCD00982278
OC(=O)CC(n+)1c(C)sc2c1cc(O)cc2
ZINC000000302373
ZINC302373

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Available files

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