Vitas-M small molecule compound
(5Z)-5-benzylidene-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817496
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccccc1)/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 C22H21N3O2S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O2S/c1-2-3-7-14-27-18-12-10-17(11-13-18)20-23-22-25(24-20)21(26)19(28-22)15-16-8-5-4-6-9-16/h4-6,8-13,15H,2-3,7,14H2,1H3/b19-15-InChIKey
GILJMGRMKGENNY-CYVLTUHYSA-NSynonyms
(5Z)5benzylidene2(4(pentyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5BENZYLIDENE2(4PENTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1)c2=O
InChI=1SC22H21N3O2Sc1237142718121017(111318)20232225(2420)21(26)19(2822)15168546916h4681315H23714H21H3b1915
MFCD06308804
ZINC000003648976
ZINC03648976
ZINC3648976
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