Vitas-M small molecule compound

(5Z)-2-[4-(pentyloxy)phenyl]-5-(2-propoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK801209
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccccc1OCCC)/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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-3-5-8-16-30-20-13-11-18(12-14-20)23-26-25-28(27-23)24(29)22(32-25)17-19-9-6-7-10-21(19)31-15-4-2/h6-7,9-14,17H,3-5,8,15-16H2,1-2H3/b22-17-
InChIKey
AKFPOBDOYJYRBE-XLNRJJMWSA-N
Synonyms

(5Z)2(4(pentyloxy)phenyl)5(2propoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4PENTOXYPHENYL)5((2PROPOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4OCCC)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1OCCC)c2=O
InChI=1SC25H27N3O3Sc1358163020131118(121420)23262528(2723)24(29)22(3225)17199671021(19)311542h6791417H3581516H212H3b2217
MFCD06642961
ZINC000003650943
ZINC03650943
ZINC3650943

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Available files

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