Vitas-M small molecule compound

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

Catalog ID
STK742952
SMILES Brc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br)/C=c/1\sc2=NC3=C(C(n2c1=O)c1cccs1)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 C32H21Br2N3O4S2 MW 735.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H21Br2N3O4S2/c33-24-14-19(15-25(34)30(24)41-17-18-7-10-21(11-8-18)37(39)40)16-27-31(38)36-29(26-6-3-13-42-26)23-12-9-20-4-1-2-5-22(20)28(23)35-32(36)43-27/h1-8,10-11,13-16,29H,9,12,17H2/b27-16-
InChIKey
PMXUFLSGIZBVNE-YUMHPJSZSA-N
Synonyms

(10Z)10(35dibromo4((4nitrobenzyl)oxy)benzylidene)7(thiophen2yl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(35dibromo4((4nitrobenzyl)oxy)benzylidene)7(thiophen2yl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
Brc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))Br)C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CS5)C(=O)C(=CC6=CC(=C(C(=C6)Br)OCC7=CC=C(C=C7)(N+)(=O)(O))Br)S4
InChI=1SC32H21Br2N3O4S2c33241419(1525(34)30(24)41171871021(11818)37(39)40)162731(38)3629(2663134226)2312920412522(20)28(23)3532(36)4327h181011131629H91217H2b2716
MFCD03663668
ZINC000150385666
ZINC000150385668

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Available files

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