Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816095
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(c(c1)OC)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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-3-4-16-35-23-13-11-22(12-14-23)27-30-29-32(31-27)28(33)26(37-29)18-21-10-15-24(25(17-21)34-2)36-19-20-8-6-5-7-9-20/h5-15,17-18H,3-4,16,19H2,1-2H3/b26-18-InChIKey
BONPZFKNGNBYNR-ITYLOYPMSA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(benzyloxy)3methoxybenzylidene)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)OC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(c(c1)OC)OCc1ccccc1)c2=O
InChI=1SC29H27N3O4Sc134163523131122(121423)27302932(3127)28(33)26(3729)1821101524(25(1721)342)3619208657920h5151718H341619H212H3b2618
MFCD03533142
ZINC000016733062
ZINC16733062
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