Vitas-M small molecule compound
(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
Catalog ID
STK806768
SMILES COc1ccc(cc1S(=O)(=O)N1CCCCCC1)/C=C/C(=O)O
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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 C16H21NO5S MW 339.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO5S/c1-22-14-8-6-13(7-9-16(18)19)12-15(14)23(20,21)17-10-4-2-3-5-11-17/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)/b9-7+InChIKey
UVLXOJIYEJYIED-VQHVLOKHSA-NSynonyms
325694-53-9(2E)3(3(AZAPERHYDROEPINYLSULFONYL)4METHOXYPHENYL)PROP2ENOICACID
(2E)3(3(azepan1ylsulfonyl)4methoxyphenyl)prop2enoicacid
(E)3(3(AZEPAN1YLSULFONYL)4METHOXYPHENYL)PROP2ENOICACID
325694539
COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCCCCC2
COc1ccc(cc1S(=O)(=O)N1CCCCCC1)C=CC(=O)O
InChI=1SC16H21NO5Sc122148613(7916(18)19)1215(14)23(2021)171042351117h6912H251011H21H3(H1819)b97+
MFCD02108446
ZINC000000239625
ZINC239625
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