Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)benzylidene]-2-[4-(prop-2-en-1-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817703
SMILES C=CCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)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 C27H21N3O3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3S/c1-2-16-32-22-14-10-21(11-15-22)25-28-27-30(29-25)26(31)24(34-27)17-19-8-12-23(13-9-19)33-18-20-6-4-3-5-7-20/h2-15,17H,1,16,18H2/b24-17-InChIKey
MXMHDKKYLCTHPP-ULJHMMPZSA-NSynonyms
(5Z)5((4PHENYLMETHOXYPHENYL)METHYLIDENE)2(4PROP2ENOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(benzyloxy)benzylidene)2(4(prop2en1yloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
C=CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5)SC3=N2
C=CCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O
InChI=1SC27H21N3O3Sc12163222141021(111522)25282730(2925)26(31)24(3427)171981223(13919)3318206435720h21517H11618H2b2417
MFCD06651175
ZINC000003649333
ZINC03649333
ZINC3649333
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