Vitas-M small molecule compound

(5Z)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK703850
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1)C(=O)C)/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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-3-4-15-33-21-11-9-20(10-12-21)25-28-27-30(29-25)26(32)24(35-27)16-22-13-14-23(34-22)19-7-5-18(6-8-19)17(2)31/h5-14,16H,3-4,15H2,1-2H3/b24-16-
InChIKey
JLEUVQHPRHTCHC-JLPGSUDCSA-N
Synonyms
606947-81-3
(5Z)5((5(4acetylphenyl)furan2yl)methylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((5(4ACETYLPHENYL)FURAN2YL)METHYLIDENE)2(4BUTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((5(4acetylphenyl)furan2yl)methylene)2(4butoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
606947813
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)C(=O)C)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)C(=O)C)s2
InChI=1SC27H23N3O4Sc13415332111920(101221)25282730(2925)26(32)24(3527)1622131423(3422)197518(6819)17(2)31h51416H3415H212H3b2416
MFCD03532592
ZINC000002260330
ZINC02260330
ZINC2260330

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Available files

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