Vitas-M small molecule compound
(5Z)-2-[4-(hexyloxy)phenyl]-5-[4-(prop-2-en-1-yloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818330
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)OCC=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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-3-5-6-7-17-32-22-14-10-20(11-15-22)24-27-26-29(28-24)25(30)23(33-26)18-19-8-12-21(13-9-19)31-16-4-2/h4,8-15,18H,2-3,5-7,16-17H2,1H3/b23-18-InChIKey
VPFXDRVCFGRRPI-NKFKGCMQSA-NSynonyms
(5Z)2(4(hexyloxy)phenyl)5(4(prop2en1yloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5((4PROP2ENOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCC=C)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)OCC=C)c2=O
InChI=1SC26H27N3O3Sc13567173222141020(111522)24272629(2824)25(30)23(3326)181981221(13919)311642h481518H23571617H21H3b2318
MFCD06308878
ZINC000003649173
ZINC03649173
ZINC3649173
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