Vitas-M small molecule compound
(5Z)-2-[4-(hexyloxy)phenyl]-5-[4-(propan-2-yl)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818524
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)C(C)C)/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 C26H29N3O2S MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O2S/c1-4-5-6-7-16-31-22-14-12-21(13-15-22)24-27-26-29(28-24)25(30)23(32-26)17-19-8-10-20(11-9-19)18(2)3/h8-15,17-18H,4-7,16H2,1-3H3/b23-17-InChIKey
PLFKPKOFPMZPFM-QJOMJCCJSA-NSynonyms
(5Z)2(4(hexyloxy)phenyl)5(4(propan2yl)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5((4PROPAN2YLPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(C)C)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)C(C)C)c2=O
InChI=1SC26H29N3O2Sc14567163122141221(131522)24272629(2824)25(30)23(3226)171981020(11919)18(2)3h8151718H4716H213H3b2317
MFCD06308857
ZINC000003649112
ZINC03649112
ZINC3649112
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