Vitas-M small molecule compound
2-{[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoyl]amino}benzoic acid
Catalog ID
STK123588
SMILES O=C(Nc1ccccc1C(=O)O)CCN1C(=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 C17H14N2O6S MW 374.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O6S/c20-15(18-13-7-3-1-5-11(13)17(22)23)9-10-19-16(21)12-6-2-4-8-14(12)26(19,24)25/h1-8H,9-10H2,(H,18,20)(H,22,23)InChIKey
WKAWEBYSPBDBJD-UHFFFAOYSA-NSynonyms
2((3(11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)PROPANOYL)AMINO)BENZOICACID
2(3(113TRIOXO12BENZOTHIAZOL2YL)PROPANOYLAMINO)BENZOICACID
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=CC=C3C(=O)O
InChI=1SC17H14N2O6Sc2015(1813731511(13)17(22)23)9101916(21)12624814(12)26(1924)25h18H910H2(H1820)(H2223)
MFCD03865165
ZINC000001011576
ZINC1011576
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