Vitas-M small molecule compound
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)ethyl benzoate
Catalog ID
STK324871
SMILES O=C(c1ccccc1)OCCN1C(=O)c2c(S1(=O)=O)cccc2
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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 C16H13NO5S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5S/c18-15-13-8-4-5-9-14(13)23(20,21)17(15)10-11-22-16(19)12-6-2-1-3-7-12/h1-9H,10-11H2InChIKey
QSASTQKVASCGEZ-UHFFFAOYSA-NSynonyms
2(113TRIOXO12BENZOTHIAZOL2YL)ETHYLBENZOATE
2(11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)ETHYLBENZOATE
C1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI=1SC16H13NO5Sc181513845914(13)23(2021)17(15)10112216(19)126213712h19H1011H2
MFCD00759417
ZINC000000241046
ZINC00241046
ZINC241046
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