Vitas-M small molecule compound
(10E)-10-[2-(benzyloxy)-3,5-dibromobenzylidene]-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STL000412
SMILES Brc1cc(Br)c(c(c1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccc(c1)[N+](=O)[O-])CCc1c3cccc1)OCc1ccccc1
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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 C34H23Br2N3O4S MW 729.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H23Br2N3O4S/c35-24-15-23(32(28(36)18-24)43-19-20-7-2-1-3-8-20)17-29-33(40)38-31(22-10-6-11-25(16-22)39(41)42)27-14-13-21-9-4-5-12-26(21)30(27)37-34(38)44-29/h1-12,15-18,31H,13-14,19H2/b29-17+InChIKey
AILRECDKCNUVNK-STBIYBPSSA-NSynonyms
(10E)10(2(benzyloxy)35dibromobenzylidene)7(3nitrophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(E)10(2(benzyloxy)35dibromobenzylidene)7(3nitrophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
Brc1cc(Br)c(c(c1)C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)(N+)(=O)(O))CCc1c3cccc1)OCc1ccccc1
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C(=CC6=CC(=CC(=C6OCC7=CC=CC=C7)Br)Br)S4
InChI=1SC34H23Br2N3O4Sc35241523(32(28(36)1824)4319207213820)172933(40)3831(221061125(1622)39(41)42)271413219451226(21)30(27)3734(38)4429h112151831H131419H2b2917+
MFCD03663277
ZINC000150406586
ZINC000150406590
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