Vitas-M small molecule compound
(5Z)-5-(4-ethylbenzylidene)-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818309
SMILES CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(cc1)CC)/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 C25H27N3O2S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2S/c1-3-5-6-7-16-30-21-14-12-20(13-15-21)23-26-25-28(27-23)24(29)22(31-25)17-19-10-8-18(4-2)9-11-19/h8-15,17H,3-7,16H2,1-2H3/b22-17-InChIKey
NGQKSAFWHUIHOR-XLNRJJMWSA-NSynonyms
(5Z)5((4ETHYLPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4ethylbenzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)CC)SC3=N2
CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(cc1)CC)s2
InChI=1SC25H27N3O2Sc13567163021141220(131521)23262528(2723)24(29)22(3125)171910818(42)91119h81517H3716H212H3b2217
MFCD06643080
ZINC000003650991
ZINC03650991
ZINC3650991
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