Vitas-M small molecule compound
(5Z)-5-(4-butoxybenzylidene)-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815926
SMILES CCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
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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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-3-5-15-30-20-11-7-18(8-12-20)17-22-24(29)28-25(32-22)26-23(27-28)19-9-13-21(14-10-19)31-16-6-4-2/h7-14,17H,3-6,15-16H2,1-2H3/b22-17-InChIKey
IUODFQBAJATPFX-XLNRJJMWSA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((4BUTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4butoxybenzylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2
CCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC25H27N3O3Sc13515302011718(81220)172224(29)2825(3222)2623(2728)1991321(141019)3116642h71417H361516H212H3b2217
MFCD03532840
ZINC000016732920
ZINC16732920
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