Vitas-M small molecule compound
(5Z)-5-[3-(benzyloxy)benzylidene]-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515934
SMILES COc1cc(/C=C/c2nn3c(n2)s/c(=C\c2cccc(c2)OCc2ccccc2)/c3=O)ccc1OC
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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 C28H23N3O4S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4S/c1-33-23-13-11-19(16-24(23)34-2)12-14-26-29-28-31(30-26)27(32)25(36-28)17-21-9-6-10-22(15-21)35-18-20-7-4-3-5-8-20/h3-17H,18H2,1-2H3/b14-12+,25-17-InChIKey
VHBLZXLMRRKBIC-NBYKJDAVSA-NSynonyms
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((3phenylmethoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3(benzyloxy)benzylidene)2((E)2(34dimethoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=C(C=C1)C=CC2=NN3C(=O)C(=CC4=CC(=CC=C4)OCC5=CC=CC=C5)SC3=N2)OC
COc1cc(C=Cc2nn3c(n2)sc(=Cc2cccc(c2)OCc2ccccc2)c3=O)ccc1OC
InChI=1SC28H23N3O4Sc13323131119(1624(23)342)121426292831(3026)27(32)25(3628)1721961022(1521)3518207435820h317H18H212H3b1412+2517
MFCD06645460
ZINC000016742152
ZINC16742152
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