Vitas-M small molecule compound
(10Z)-10-[3,5-dibromo-4-(prop-2-en-1-yloxy)benzylidene]-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325741
SMILES C=CCOc1c(Br)cc(cc1Br)/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 C30H21Br2N3O4S MW 679.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21Br2N3O4S/c1-2-12-39-28-23(31)13-17(14-24(28)32)15-25-29(36)34-27(19-7-5-8-20(16-19)35(37)38)22-11-10-18-6-3-4-9-21(18)26(22)33-30(34)40-25/h2-9,13-16,27H,1,10-12H2/b25-15-InChIKey
PJQKEAVALDQDKG-MYYYXRDXSA-NSynonyms
(10Z)10(35dibromo4(prop2en1yloxy)benzylidene)7(3nitrophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(4(allyloxy)35dibromobenzylidene)7(3nitrophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
C=CCOC1=C(C=C(C=C1Br)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC(=CC=C6)(N+)(=O)(O))Br
C=CCOc1c(Br)cc(cc1Br)C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)(N+)(=O)(O))CCc1c3cccc1
InChI=1SC30H21Br2N3O4Sc1212392823(31)1317(1424(28)32)152529(36)3427(1975820(1619)35(37)38)22111018634921(18)26(22)3330(34)4025h29131627H11012H2b2515
MFCD03665380
ZINC000097999712
ZINC000097999713
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