Vitas-M small molecule compound
4-{(3aS,4R,9bR)-8-[(2-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
Catalog ID
STL222048
SMILES COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)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 C26H24N2O5S MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5S/c1-33-24-8-3-2-7-23(24)28-34(31,32)18-13-14-22-21(15-18)19-5-4-6-20(19)25(27-22)16-9-11-17(12-10-16)26(29)30/h2-5,7-15,19-20,25,27-28H,6H2,1H3,(H,29,30)/t19-,20+,25+/m1/s1InChIKey
NURASWRJEGEDBY-RNHFSVANSA-NSynonyms
4((3aS4R9bR)8((2methoxyphenyl)sulfamoyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoicacid
COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)C(=O)O
InChI=1SC26H24N2O5Sc13324832723(24)2834(3132)1813142221(1518)1954620(19)25(2722)1691117(121016)26(29)30h257151920252728H6H21H3(H2930)t1920+25+m1s1
MFCD24857590
ZINC000014165947
ZINC14165947
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