Vitas-M small molecule compound
(5E)-5-[2-(hexyloxy)benzylidene]-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK880833
SMILES CCCCCCOc1ccccc1/C=c\1/sc2n(c1=O)nc(n2)c1cccs1
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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 C21H21N3O2S2 MW 411.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S2/c1-2-3-4-7-12-26-16-10-6-5-9-15(16)14-18-20(25)24-21(28-18)22-19(23-24)17-11-8-13-27-17/h5-6,8-11,13-14H,2-4,7,12H2,1H3/b18-14+InChIKey
KKFXSMVLCHAHRY-NBVRZTHBSA-NSynonyms
617695-16-6(5E)5((2HEXOXYPHENYL)METHYLIDENE)2THIOPHEN2YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(2(hexyloxy)benzylidene)2(thiophen2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(2(hexyloxy)benzylidene)2(thiophen2yl)thiazolo(32b)(124)triazol6(5H)one
5(2(HEXYLOXY)BENZYLIDENE)2(THIOPHEN2YL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
617695166
CCCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=CS4)S2
CCCCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1cccs1
InChI=1SC21H21N3O2S2c123471226161065915(16)141820(25)2421(2818)2219(2324)17118132717h568111314H24712H21H3b1814+
MFCD04441384
ZINC000002368115
ZINC02368115
ZINC2368115
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