Vitas-M small molecule compound
(10E)-10-(1,3-benzodioxol-5-ylmethylidene)-7-(2,3-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK397207
SMILES COc1cccc(c1OC)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc4c(c1)OCO4)/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 C30H24N2O5S MW 524.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O5S/c1-34-23-9-5-8-21(28(23)35-2)27-20-12-11-18-6-3-4-7-19(18)26(20)31-30-32(27)29(33)25(38-30)15-17-10-13-22-24(14-17)37-16-36-22/h3-10,13-15,27H,11-12,16H2,1-2H3/b25-15+InChIKey
LAHQEXZURPEGHN-MFKUBSTISA-NSynonyms
(10E)10(13benzodioxol5ylmethylidene)7(23dimethoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
COC1=CC=CC(=C1OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC7=C(C=C6)OCO7)S5
COc1cccc(c1OC)C1C2=C(N=c3n1c(=O)c(=Cc1ccc4c(c1)OCO4)s3)c1c(CC2)cccc1
InChI=1SC30H24N2O5Sc1342395821(28(23)352)2720121118634719(18)26(20)313032(27)29(33)25(3830)151710132224(1417)37163622h310131527H111216H212H3b2515+
MFCD03835546
ZINC000097964166
ZINC000097964167
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