Vitas-M small molecule compound
(5Z)-2-[4-(hexyloxy)phenyl]-5-[(2E)-3-phenylprop-2-en-1-ylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818331
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\C=C\c1ccccc1)/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 C25H25N3O2S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S/c1-2-3-4-8-18-30-21-16-14-20(15-17-21)23-26-25-28(27-23)24(29)22(31-25)13-9-12-19-10-6-5-7-11-19/h5-7,9-17H,2-4,8,18H2,1H3/b12-9+,22-13-InChIKey
OJCWMOXLFSMRIM-IKVHAALSSA-NSynonyms
(5Z)2(4(hexyloxy)phenyl)5((2E)3phenylprop2en1ylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5((E)3PHENYLPROP2ENYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC=CC4=CC=CC=C4)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=CC=Cc1ccccc1)c2=O
InChI=1SC25H25N3O2Sc12348183021161420(151721)23262528(2723)24(29)22(3125)1391219106571119h57917H24818H21H3b129+2213
MFCD06308880
ZINC000003649178
ZINC03649178
ZINC3649178
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