Vitas-M small molecule compound
(5Z)-2-[4-(hexyloxy)phenyl]-5-[4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818324
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)OCCCCC)/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 C28H33N3O3S MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O3S/c1-3-5-7-9-19-34-24-16-12-22(13-17-24)26-29-28-31(30-26)27(32)25(35-28)20-21-10-14-23(15-11-21)33-18-8-6-4-2/h10-17,20H,3-9,18-19H2,1-2H3/b25-20-InChIKey
CODJJKSGCKKRLV-QQTULTPQSA-NSynonyms
(5Z)2(4(hexyloxy)phenyl)5(4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4HEXOXYPHENYL)5((4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCCCCC)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)OCCCCC)c2=O
InChI=1SC28H33N3O3Sc13579193424161222(131724)26292831(3026)27(32)25(3528)2021101423(151121)33188642h101720H391819H212H3b2520
MFCD06643085
ZINC000016736800
ZINC16736800
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