Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-(4-ethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800642
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(cc1)OCC)/s2
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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 C23H23N3O3S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S/c1-3-5-14-29-19-12-8-17(9-13-19)21-24-23-26(25-21)22(27)20(30-23)15-16-6-10-18(11-7-16)28-4-2/h6-13,15H,3-5,14H2,1-2H3/b20-15-InChIKey
XXSGRBZUWXQUAU-HKWRFOASSA-NSynonyms
(5Z)2(4butoxyphenyl)5((4ethoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(4ethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCC)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(cc1)OCC)s2
InChI=1SC23H23N3O3Sc13514291912817(91319)21242326(2521)22(27)20(3023)151661018(11716)2842h61315H3514H212H3b2015
MFCD06642896
ZINC000016735823
ZINC16735823
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