Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904977
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(c(c1)OCC)OCC=C)/s2
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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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-4-7-15-32-20-11-9-19(10-12-20)24-27-26-29(28-24)25(30)23(34-26)17-18-8-13-21(33-14-5-2)22(16-18)31-6-3/h5,8-13,16-17H,2,4,6-7,14-15H2,1,3H3/b23-17-InChIKey
AFBSFWKCLQQDSC-QJOMJCCJSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3ethoxy4prop2enoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(3ethoxy4(prop2en1yloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC=C)OCC)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(c(c1)OCC)OCC=C)s2
InChI=1SC26H27N3O4Sc14715322011919(101220)24272629(2824)25(30)23(3426)171881321(331452)22(1618)3163h58131617H24671415H213H3b2317
MFCD18076194
ZINC000027022617
ZINC27022617
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