Vitas-M small molecule compound
(10Z)-10-[3-ethoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK699295
SMILES CCOc1cc(ccc1OCc1cccc2c1cccc2)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccc(cc1)F)CCc1c3cccc1
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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 C40H31FN2O3S MW 638.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H31FN2O3S/c1-2-45-35-22-25(14-21-34(35)46-24-29-11-7-10-26-8-3-5-12-31(26)29)23-36-39(44)43-38(28-15-18-30(41)19-16-28)33-20-17-27-9-4-6-13-32(27)37(33)42-40(43)47-36/h3-16,18-19,21-23,38H,2,17,20,24H2,1H3/b36-23-InChIKey
XVUAAMVSSRBSIV-GMEAVFFOSA-NSynonyms
(10Z)10(3ethoxy4(naphthalen1ylmethoxy)benzylidene)7(4fluorophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(3ethoxy4(naphthalen1ylmethoxy)benzylidene)7(4fluorophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=C(C=C6)F)OCC7=CC=CC8=CC=CC=C87
CCOc1cc(ccc1OCc1cccc2c1cccc2)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)F)CCc1c3cccc1
InChI=1SC40H31FN2O3Sc1245352225(142134(35)46242911710268351231(26)29)233639(44)4338(28151830(41)191628)332017279461332(27)37(33)4240(43)4736h3161819212338H2172024H21H3b3623
MFCD03664599
ZINC000097968514
ZINC000097968515
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