Vitas-M small molecule compound

(5Z)-2-[4-(hexyloxy)phenyl]-5-[2-(prop-2-en-1-yloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK818528
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccccc1OCC=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/c1-3-5-6-9-17-31-21-14-12-19(13-15-21)24-27-26-29(28-24)25(30)23(33-26)18-20-10-7-8-11-22(20)32-16-4-2/h4,7-8,10-15,18H,2-3,5-6,9,16-17H2,1H3/b23-18-
InChIKey
WUXWGSNNJPPZKY-NKFKGCMQSA-N
Synonyms

(5Z)2(4(hexyloxy)phenyl)5(2(prop2en1yloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5((2PROP2ENOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4OCC=C)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1OCC=C)c2=O
InChI=1SC26H27N3O3Sc13569173121141219(131521)24272629(2824)25(30)23(3326)182010781122(20)321642h478101518H235691617H21H3b2318
MFCD06643112
ZINC000003651013
ZINC03651013
ZINC3651013

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Available files

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