Vitas-M small molecule compound

(10Z)-10-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK699280
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)/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 C36H28ClFN2O3S MW 623.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28ClFN2O3S/c1-2-42-31-19-23(9-18-30(31)43-21-22-7-13-26(37)14-8-22)20-32-35(41)40-34(25-10-15-27(38)16-11-25)29-17-12-24-5-3-4-6-28(24)33(29)39-36(40)44-32/h3-11,13-16,18-20,34H,2,12,17,21H2,1H3/b32-20-
InChIKey
GEXNJDLBBWKEBK-RGXNXFOYSA-N
Synonyms

(10Z)10(4((4chlorobenzyl)oxy)3ethoxybenzylidene)7(4fluorophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(4((4chlorobenzyl)oxy)3ethoxybenzylidene)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=C(C=C7)Cl
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)F)CCc1c3cccc1
InChI=1SC36H28ClFN2O3Sc1242311923(91830(31)43212271326(37)14822)203235(41)4034(25101527(38)161125)29171224534628(24)33(29)3936(40)4432h3111316182034H2121721H21H3b3220
MFCD03664910
ZINC000097968506
ZINC000097968507

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Available files

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