Vitas-M small molecule compound
2-oxo-2-(thiophen-2-yl)ethyl 2-[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]quinoline-4-carboxylate
Catalog ID
STK286896
SMILES O=C(c1cccs1)COC(=O)c1cc(nc2c1cccc2)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2CC1
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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 C31H24N2O5S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N2O5S/c34-25(26-9-4-12-39-26)16-38-31(37)22-15-24(32-23-8-2-1-7-21(22)23)17-5-3-6-20(14-17)33-29(35)27-18-10-11-19(13-18)28(27)30(33)36/h1-9,12,14-15,18-19,27-28H,10-11,13,16H2InChIKey
KZEBBHMWJAFAPD-UHFFFAOYSA-NSynonyms
2oxo2(thiophen2yl)ethyl2(3(13dioxooctahydro2H47methanoisoindol2yl)phenyl)quinoline4carboxylate
2OXO2THIOPHEN2YLETHYL2(3(13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)PHENYL)QUINOLINE4CARBOXYLATE
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)OCC(=O)C7=CC=CS7
InChI=1SC31H24N2O5Sc3425(2694123926)163831(37)221524(3223821721(22)23)1753620(1417)3329(35)2718101119(1318)28(27)30(33)36h1912141518192728H10111316H2
MFCD03648890
ZINC000102090947
ZINC000102090961
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