Vitas-M small molecule compound
(10E)-10-(4-bromobenzylidene)-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK397202
SMILES Brc1ccc(cc1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccc(c1)[N+](=O)[O-])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 C27H18BrN3O3S MW 544.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18BrN3O3S/c28-19-11-8-16(9-12-19)14-23-26(32)30-25(18-5-3-6-20(15-18)31(33)34)22-13-10-17-4-1-2-7-21(17)24(22)29-27(30)35-23/h1-9,11-12,14-15,25H,10,13H2/b23-14+InChIKey
HPIKIGBZQUXHGG-OEAKJJBVSA-NSynonyms
(10E)10(4bromobenzylidene)7(3nitrophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
Brc1ccc(cc1)C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)(N+)(=O)(O))CCc1c3cccc1
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C(=CC6=CC=C(C=C6)Br)S4
InChI=1SC27H18BrN3O3Sc281911816(91219)142326(32)3025(1853620(1518)31(33)34)22131017412721(17)24(22)2927(30)3523h191112141525H1013H2b2314+
MFCD02188230
ZINC000101063590
ZINC000101063591
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