Vitas-M small molecule compound

3-{(E)-[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate

Catalog ID
STK812473
SMILES CCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1cccc(c1)OC(=O)C)/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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-3-27-16-9-7-15(8-10-16)19-22-21-24(23-19)20(26)18(29-21)12-14-5-4-6-17(11-14)28-13(2)25/h4-12H,3H2,1-2H3/b18-12+
InChIKey
LFNYZYXCIJYHSH-LDADJPATSA-N
Synonyms

(3((E)(2(4ethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5ylidene)methyl)phenyl)acetate
3((E)(2(4ethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)OC(=O)C)SC3=N2
CCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)OC(=O)C)c2=O
InChI=1SC21H17N3O4Sc1327169715(81016)19222124(2319)20(26)18(2921)121454617(1114)2813(2)25h412H3H212H3b1812+
MFCD06265006
ZINC000016728912
ZINC16728912

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Available files

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