Vitas-M small molecule compound

(10E)-10-[3-(2,4-dinitrophenoxy)benzylidene]-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK742972
SMILES Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/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 C33H21FN4O6S MW 620.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21FN4O6S/c34-22-11-8-21(9-12-22)31-26-14-10-20-5-1-2-7-25(20)30(26)35-33-36(31)32(39)29(45-33)17-19-4-3-6-24(16-19)44-28-15-13-23(37(40)41)18-27(28)38(42)43/h1-9,11-13,15-18,31H,10,14H2/b29-17+
InChIKey
QEFSHYHSPJJGHV-STBIYBPSSA-N
Synonyms

(10E)10(3(24dinitrophenoxy)benzylidene)7(4fluorophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(E)10(3(24dinitrophenoxy)benzylidene)7(4fluorophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=C(C=C5)F)C(=O)C(=CC6=CC(=CC=C6)OC7=C(C=C(C=C7)(N+)(=O)(O))(N+)(=O)(O))S4
Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cccc(c1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))s3)c1c(CC2)cccc1
InChI=1SC33H21FN4O6Sc342211821(91222)3126141020512725(20)30(26)353336(31)32(39)29(4533)171943624(1619)4428151323(37(40)41)1827(28)38(42)43h191113151831H1014H2b2917+
MFCD02799304
ZINC000102660323
ZINC000102660328

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.