Vitas-M small molecule compound
(5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(3-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904546
SMILES COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=C\c1cccc(c1)[N+](=O)[O-])/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 C20H14N4O4S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O4S/c1-28-16-8-5-13(6-9-16)7-10-18-21-20-23(22-18)19(25)17(29-20)12-14-3-2-4-15(11-14)24(26)27/h2-12H,1H3/b10-7+,17-12-InChIKey
ZFKWRAVDAKJPTH-VXGMZCCXSA-NSynonyms
(5Z)2((E)2(4methoxyphenyl)ethenyl)5((3nitrophenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(4methoxyphenyl)ethenyl)5(3nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=CC=C(C=C1)C=CC2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=N2
COc1ccc(cc1)C=Cc1nn2c(n1)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC20H14N4O4Sc128168513(6916)71018212023(2218)19(25)17(2920)121432415(1114)24(26)27h212H1H3b107+1712
MFCD18076108
ZINC000027022183
ZINC27022183
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