Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-(2-methoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK705257
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccccc1OC)/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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-3-4-13-28-17-11-9-15(10-12-17)20-23-22-25(24-20)21(26)19(29-22)14-16-7-5-6-8-18(16)27-2/h5-12,14H,3-4,13H2,1-2H3/b19-14-InChIKey
XQVPGEZZYLXXJL-RGEXLXHISA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((2METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(2methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4OC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1OC)c2=O
InChI=1SC22H21N3O3Sc13413281711915(101217)20232225(2420)21(26)19(2922)1416756818(16)272h51214H3413H212H3b1914
MFCD04446765
ZINC000003636964
ZINC03636964
ZINC3636964
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