Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)-3-ethoxybenzylidene]-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904981
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(c(c1)OCC)OCc1ccccc1)/c2=O
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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 C30H29N3O4S MW 527.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4S/c1-3-5-17-36-24-14-12-23(13-15-24)28-31-30-33(32-28)29(34)27(38-30)19-22-11-16-25(26(18-22)35-4-2)37-20-21-9-7-6-8-10-21/h6-16,18-19H,3-5,17,20H2,1-2H3/b27-19-InChIKey
HKKJAHQVSSJNCY-DIBXZPPDSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3ethoxy4phenylmethoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)5(4(benzyloxy)3ethoxybenzylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(c(c1)OCC)OCc1ccccc1)c2=O
InChI=1SC30H29N3O4Sc135173624141223(131524)28313033(3228)29(34)27(3830)1922111625(26(1822)3542)37202197681021h6161819H351720H212H3b2719
MFCD18076198
ZINC000027022628
ZINC27022628
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