Vitas-M small molecule compound

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

Catalog ID
STK078459
SMILES Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(I)c(c(c1)I)OCc1ccc(cc1)[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 C34H22FI2N3O4S MW 841.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H22FI2N3O4S/c35-23-10-7-22(8-11-23)31-26-14-9-21-3-1-2-4-25(21)30(26)38-34-39(31)33(41)29(45-34)17-20-15-27(36)32(28(37)16-20)44-18-19-5-12-24(13-6-19)40(42)43/h1-8,10-13,15-17,31H,9,14,18H2/b29-17+
InChIKey
FXMNXLWOKSORKO-STBIYBPSSA-N
Synonyms

(10E)10(35DIIODO4((4NITROBENZYL)OXY)BENZYLIDENE)7(4FLUOROPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
(Z)10(35diiodo4((4nitrobenzyl)oxy)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(=C(C(=C6)I)OCC7=CC=C(C=C7)(N+)(=O)(O))I)S4
Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cc(I)c(c(c1)I)OCc1ccc(cc1)(N+)(=O)(O))s3)c1c(CC2)cccc1
InChI=1SC34H22FI2N3O4Sc352310722(81123)312614921312425(21)30(26)383439(31)33(41)29(4534)17201527(36)32(28(37)1620)44181951224(13619)40(42)43h181013151731H91418H2b2917+
MFCD03549585
STK078459
ZINC000150365811
ZINC000150365813

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Available files

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