Vitas-M small molecule compound
(10E)-7-(2,3-dimethoxyphenyl)-10-(4-methoxy-3-nitrobenzylidene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK397208
SMILES COc1c(OC)cccc1C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(c(c1)[N+](=O)[O-])OC)/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 C30H25N3O6S MW 555.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O6S/c1-37-23-14-11-17(15-22(23)33(35)36)16-25-29(34)32-27(21-9-6-10-24(38-2)28(21)39-3)20-13-12-18-7-4-5-8-19(18)26(20)31-30(32)40-25/h4-11,14-16,27H,12-13H2,1-3H3/b25-16+InChIKey
WDJSKFQQZBAFTQ-PCLIKHOPSA-NSynonyms
(10E)7(23dimethoxyphenyl)10(4methoxy3nitrobenzylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
COC1=C(C=C(C=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=C(C(=CC=C6)OC)OC)(N+)(=O)(O)
COc1c(OC)cccc1C1C2=C(N=c3n1c(=O)c(=Cc1ccc(c(c1)(N+)(=O)(O))OC)s3)c1c(CC2)cccc1
InChI=1SC30H25N3O6Sc13723141117(1522(23)33(35)36)162529(34)3227(21961024(382)28(21)393)20131218745819(18)26(20)3130(32)4025h411141627H1213H213H3b2516+
MFCD03835547
ZINC000101963939
ZINC000101963945
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