Vitas-M small molecule compound
(10E)-10-(4-fluorobenzylidene)-7-(4-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STL115183
SMILES COc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(cc1)F)/s3)c1c(CC2)cccc1
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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 C28H21FN2O2S MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN2O2S/c1-33-21-13-8-19(9-14-21)26-23-15-10-18-4-2-3-5-22(18)25(23)30-28-31(26)27(32)24(34-28)16-17-6-11-20(29)12-7-17/h2-9,11-14,16,26H,10,15H2,1H3/b24-16+InChIKey
LIMLWAWLHBNORA-LFVJCYFKSA-NSynonyms
(10E)10(4fluorobenzylidene)7(4methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(C=C6)F)S5
COc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1)F)s3)c1c(CC2)cccc1
InChI=1SC28H21FN2O2Sc1332113819(91421)2623151018423522(18)25(23)302831(26)27(32)24(3428)161761120(29)12717h2911141626H1015H21H3b2416+
MFCD20731952
ZINC000067191224
ZINC000067191226
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