Vitas-M small molecule compound

(10E)-10-{3,5-dibromo-4-[(4-nitrobenzyl)oxy]benzylidene}-7-(3-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK325850
SMILES COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(Br)c(c(c1)Br)OCc1ccc(cc1)[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 C35H25Br2N3O5S MW 759.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H25Br2N3O5S/c1-44-25-7-4-6-23(18-25)32-27-14-11-22-5-2-3-8-26(22)31(27)38-35-39(32)34(41)30(46-35)17-21-15-28(36)33(29(37)16-21)45-19-20-9-12-24(13-10-20)40(42)43/h2-10,12-13,15-18,32H,11,14,19H2,1H3/b30-17+
InChIKey
DHHIACLQAYFGJC-OCSSWDANSA-N
Synonyms

(10E)10(35dibromo4((4nitrobenzyl)oxy)benzylidene)7(3methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(35dibromo4((4nitrobenzyl)oxy)benzylidene)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(=C(C(=C6)Br)OCC7=CC=C(C=C7)(N+)(=O)(O))Br)S5
COc1cccc(c1)C1C2=C(N=c3n1c(=O)c(=Cc1cc(Br)c(c(c1)Br)OCc1ccc(cc1)(N+)(=O)(O))s3)c1c(CC2)cccc1
InChI=1SC35H25Br2N3O5Sc1442574623(1825)3227141122523826(22)31(27)383539(32)34(41)30(4635)17211528(36)33(29(37)1621)45192091224(131020)40(42)43h2101213151832H111419H21H3b3017+
MFCD04227255
ZINC000150436904
ZINC000150436908

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Available files

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