Vitas-M small molecule compound

(5E)-5-(2-bromobenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK814095
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccccc1Br)/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 C20H16BrN3O2S MW 442.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O2S/c1-2-11-26-15-9-7-13(8-10-15)18-22-20-24(23-18)19(25)17(27-20)12-14-5-3-4-6-16(14)21/h3-10,12H,2,11H2,1H3/b17-12+
InChIKey
NWZVZSHCZJRDMG-SFQUDFHCSA-N
Synonyms
606956-07-4
(5E)5((2BROMOPHENYL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(2bromobenzylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(2bromobenzylidene)2(4propoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
5(2BROMOBENZYLIDENE)2(4PROPOXYPHENYL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
606956074
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4Br)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1Br)c2=O
InChI=1SC20H16BrN3O2Sc121126159713(81015)18222024(2318)19(25)17(2720)1214534616(14)21h31012H211H21H3b1712+
MFCD04441958
ZINC000026503112
ZINC26503112

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Available files

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