Vitas-M small molecule compound
(5Z)-5-(4-butoxy-3-methoxybenzylidene)-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815923
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(c(c1)OC)OCCCC)/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 C26H29N3O4S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4S/c1-4-6-14-32-20-11-9-19(10-12-20)24-27-26-29(28-24)25(30)23(34-26)17-18-8-13-21(22(16-18)31-3)33-15-7-5-2/h8-13,16-17H,4-7,14-15H2,1-3H3/b23-17-InChIKey
NNSNRIBJUMRPLE-QJOMJCCJSA-NSynonyms
(5Z)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)2(4BUTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4butoxy3methoxybenzylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCCCC)OC)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(c(c1)OC)OCCCC)s2
InChI=1SC26H29N3O4Sc14614322011919(101220)24272629(2824)25(30)23(3426)171881321(22(1618)313)3315752h8131617H471415H213H3b2317
MFCD03533148
ZINC000003636985
ZINC03636985
ZINC3636985
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