Vitas-M small molecule compound
(10E)-10-(5-bromo-2-hydroxy-3-nitrobenzylidene)-7-(3-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325849
SMILES COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(Br)cc(c1O)[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 C28H20BrN3O5S MW 590.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O5S/c1-37-19-7-4-6-16(12-19)25-21-10-9-15-5-2-3-8-20(15)24(21)30-28-31(25)27(34)23(38-28)13-17-11-18(29)14-22(26(17)33)32(35)36/h2-8,11-14,25,33H,9-10H2,1H3/b23-13+InChIKey
XURUVNPVDRGZDH-YDZHTSKRSA-NSynonyms
(10E)10(5bromo2hydroxy3nitrobenzylidene)7(3methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(5bromo2hydroxy3nitrobenzylidene)7(3methoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=CC(=C6O)(N+)(=O)(O))Br)S5
COc1cccc(c1)C1C2=C(N=c3n1c(=O)c(=Cc1cc(Br)cc(c1O)(N+)(=O)(O))s3)c1c(CC2)cccc1
InChI=1SC28H20BrN3O5Sc1371974616(1219)252110915523820(15)24(21)302831(25)27(34)23(3828)13171118(29)1422(26(17)33)32(35)36h2811142533H910H21H3b2313+
MFCD04227254
ZINC000101964119
ZINC000101964124
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