Vitas-M small molecule compound
(6Z)-6-(4-nitrobenzylidene)-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Catalog ID
STK221368
SMILES COc1cc(cc(c1OC)OC)c1nnc2n1c(=O)/c(=C/c1ccc(cc1)[N+](=O)[O-])/s2
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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 C20H16N4O6S MW 440.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O6S/c1-28-14-9-12(10-15(29-2)17(14)30-3)18-21-22-20-23(18)19(25)16(31-20)8-11-4-6-13(7-5-11)24(26)27/h4-10H,1-3H3/b16-8-InChIKey
SCPQFMYBGLNYFX-PXNMLYILSA-NSynonyms
(6Z)6((4NITROPHENYL)METHYLIDENE)3(345TRIMETHOXYPHENYL)(13)THIAZOLO(23C)(124)TRIAZOL5ONE
(6Z)6(4nitrobenzylidene)3(345trimethoxyphenyl)(13)thiazolo(23c)(124)triazol5(6H)one
(E)6(4nitrobenzylidene)3(345trimethoxyphenyl)thiazolo(23c)(124)triazol5(6H)one
COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S3
COc1cc(cc(c1OC)OC)c1nnc2n1c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
InChI=1SC20H16N4O6Sc12814912(1015(292)17(14)303)1821222023(18)19(25)16(3120)8114613(7511)24(26)27h410H13H3b168
MFCD08681973
ZINC000010060223
ZINC10060223
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