Vitas-M small molecule compound
(10Z)-10-(3,5-dibromo-2-methoxybenzylidene)-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325740
SMILES COc1c(Br)cc(cc1/C=c/1\sc2=NC3=C(C(n2c1=O)c1cccc(c1)[N+](=O)[O-])CCc1c3cccc1)Br
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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 C28H19Br2N3O4S MW 653.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19Br2N3O4S/c1-37-26-17(11-18(29)14-22(26)30)13-23-27(34)32-25(16-6-4-7-19(12-16)33(35)36)21-10-9-15-5-2-3-8-20(15)24(21)31-28(32)38-23/h2-8,11-14,25H,9-10H2,1H3/b23-13-InChIKey
WSXPUFFQKUOVSS-QRVIBDJDSA-NSynonyms
(10Z)10(35dibromo2methoxybenzylidene)7(3nitrophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(35dibromo2methoxybenzylidene)7(3nitrophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=C(C=C(C=C1C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC(=CC=C6)(N+)(=O)(O))Br)Br
COc1c(Br)cc(cc1C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)(N+)(=O)(O))CCc1c3cccc1)Br
InChI=1SC28H19Br2N3O4Sc1372617(1118(29)1422(26)30)132327(34)3225(1664719(1216)33(35)36)2110915523820(15)24(21)3128(32)3823h28111425H910H21H3b2313
MFCD03666583
ZINC000097999914
ZINC000097999915
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